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

Systemtic Name: 3-[(4-methanoyl-1,4-diazepan-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-formyl-1,4-diazepan-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[(4-formyl-1,4-diazepan-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[(4-formyl-1,4-diazepan-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-[(4-formyl-1,4-diazepan-1-yl)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C32H34N4O3 MolecularWeight: 522.63736

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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=O

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=O

InChI

InChI=1S/C32H34N4O3/c1-2-28(24-12-5-3-6-13-24)33-31(38)30-26-16-9-10-17-27(26)32(39)36(25-14-7-4-8-15-25)29(30)22-34-18-11-19-35(23-37)21-20-34/h3-10,12-17,23,28H,2,11,18-22H2,1H3,(H,33,38)/t28-/m0/s1