3-[[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 3-[[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C40H41N7O4 MolecularWeight: 683.79804

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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=NC7=CC(=C(C=C7C(=N6)N)OC)OC

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=NC7=CC(=C(C=C7C(=N6)N)OC)OC

InChI

InChI=1S/C40H41N7O4/c1-4-31(26-13-7-5-8-14-26)42-38(48)36-28-17-11-12-18-29(28)39(49)47(27-15-9-6-10-16-27)33(36)25-45-19-21-46(22-20-45)40-43-32-24-35(51-3)34(50-2)23-30(32)37(41)44-40/h5-18,23-24,31H,4,19-22,25H2,1-3H3,(H,42,48)(H2,41,43,44)/t31-/m0/s1