CAS 180422-22-4 | Benzamide, N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[(Z)-[(5Z)-4-methyl-3,6-dioxo-5-(phenylmethylene)-2-piperazinylidene]methyl]-, hydrochloride (1:1) | CAS Number 180422-22-4

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180422-22-4 | Benzamide, N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[(Z)-[(5Z)-4-methyl-3,6-dioxo-5-(phenylmethylene)-2-piperazinylidene]methyl]-, hydrochloride (1:1)

CAS No: 180422-22-4 Catalog No: AG0021ZB MDL No:

Product Description

Catalog Number:

AG0021ZB

Chemical Name:

Benzamide, N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[(Z)-[(5Z)-4-methyl-3,6-dioxo-5-(phenylmethylene)-2-piperazinylidene]methyl]-, hydrochloride (1:1)

CAS Number:

180422-22-4

Molecular Formula:

C39H39ClN4O5

Molecular Weight:

679.2038

IUPAC Name:

3-[(5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene)methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide;hydrochloride

InChI:

InChI=1S/C39H38N4O5.ClH/c1-42-34(22-27-8-5-4-6-9-27)38(45)41-33(39(42)46)21-28-10-7-11-30(20-28)37(44)40-32-14-12-26(13-15-32)16-18-43-19-17-29-23-35(47-2)36(48-3)24-31(29)25-43;/h4-15,20-24H,16-19,25H2,1-3H3,(H,40,44)(H,41,45);1H

InChI Key:

NJXUYZIBWDEBQS-UHFFFAOYSA-N

SMILES:

COc1cc2CN(CCc3ccc(cc3)NC(=O)c3cccc(c3)/C=c/3\[nH]c(=O)/c(=C/c4ccccc4)/n(c3=O)C)CCc2cc1OC.Cl