methyl 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C23H27N3O3/c1-29-23(28)19-8-7-18-9-10-24(16-20(18)15-19)17-22(27)26-13-11-25(12-14-26)21-5-3-2-4-6-21/h2-8,15H,9-14,16-17H2,1H3