2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-p-toluoylpiperazino)ethanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H27N3O3/c1-18-7-9-21(10-8-18)25(31)27-15-13-26(14-16-27)24(30)17-23-22-6-4-3-5-20(22)11-12-28(23)19(2)29/h3-12,23H,13-17H2,1-2H3