3-[(1S)-1-(4-aminocarbonylpiperazin-1-yl)ethyl]-1-oxidanylidene-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide

Systemtic Name: 3-[(1S)-1-(4-aminocarbonylpiperazin-1-yl)ethyl]-1-oxidanylidene-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Openeye Name: 3-[(1S)-1-(4-carbamoylpiperazin-1-yl)ethyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide CAS Name: 3-[(1S)-1-(4-carbamoyl-1-piperazinyl)ethyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)-4-isoquinolinecarboxamide IUPAC Name: 3-[(1S)-1-(4-carbamoylpiperazin-1-yl)ethyl]-1-oxo-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Traditional Name: 3-[(1S)-1-(4-carbamoylpiperazino)ethyl]-1-keto-2-phenyl-N-(1-phenylpropyl)isoquinoline-4-carboxamide Formula: C32H35N5O3 MolecularWeight: 537.652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(C)N5CCN(CC5)C(=O)N

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)[C@H](C)N5CCN(CC5)C(=O)N

InChI

InChI=1S/C32H35N5O3/c1-3-27(23-12-6-4-7-13-23)34-30(38)28-25-16-10-11-17-26(25)31(39)37(24-14-8-5-9-15-24)29(28)22(2)35-18-20-36(21-19-35)32(33)40/h4-17,22,27H,3,18-21H2,1-2H3,(H2,33,40)(H,34,38)/t22-,27?/m0/s1