1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide

Systemtic Name: 1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Openeye Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]isoquinoline-4-carboxamide CAS Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-isoquinolinecarboxamide IUPAC Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[[4-(2-pyridyl)piperazino]methyl]isoquinoline-4-carboxamide Formula: C35H35N5O2 MolecularWeight: 557.6847

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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)CN5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C35H35N5O2/c1-2-30(26-13-5-3-6-14-26)37-34(41)33-28-17-9-10-18-29(28)35(42)40(27-15-7-4-8-16-27)31(33)25-38-21-23-39(24-22-38)32-19-11-12-20-36-32/h3-20,30H,2,21-25H2,1H3,(H,37,41)/t30-/m0/s1