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

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C32H36N4O2 MolecularWeight: 508.65384

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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)CN5CCCN(CC5)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCCN(CC5)C

InChI

InChI=1S/C32H36N4O2/c1-3-28(24-13-6-4-7-14-24)33-31(37)30-26-17-10-11-18-27(26)32(38)36(25-15-8-5-9-16-25)29(30)23-35-20-12-19-34(2)21-22-35/h4-11,13-18,28H,3,12,19-23H2,1-2H3,(H,33,37)/t28-/m0/s1