3-(azepan-1-ylmethyl)-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 3-(azepan-1-ylmethyl)-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-(azepan-1-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-(1-azepanylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-(azepan-1-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-(azepan-1-ylmethyl)-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C32H35N3O2 MolecularWeight: 493.6392

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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)CN5CCCCCC5

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCCCCC5

InChI

InChI=1S/C32H35N3O2/c1-2-28(24-15-7-5-8-16-24)33-31(36)30-26-19-11-12-20-27(26)32(37)35(25-17-9-6-10-18-25)29(30)23-34-21-13-3-4-14-22-34/h5-12,15-20,28H,2-4,13-14,21-23H2,1H3,(H,33,36)/t28-/m0/s1