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

Systemtic Name: 1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Openeye Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide CAS Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-isoquinolinecarboxamide IUPAC Name: 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[[4-(2-pyrimidyl)piperazino]methyl]isoquinoline-4-carboxamide Formula: C34H34N6O2 MolecularWeight: 558.67276

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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=NC=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=NC=CC=N6

InChI

InChI=1S/C34H34N6O2/c1-2-29(25-12-5-3-6-13-25)37-32(41)31-27-16-9-10-17-28(27)33(42)40(26-14-7-4-8-15-26)30(31)24-38-20-22-39(23-21-38)34-35-18-11-19-36-34/h3-19,29H,2,20-24H2,1H3,(H,37,41)/t29-/m0/s1