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

Systemtic Name: 3-(1,3-dihydroisoindol-2-ylmethyl)-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-(isoindolin-2-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-(1,3-dihydroisoindol-2-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-(1,3-dihydroisoindol-2-ylmethyl)-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 3-(isoindolin-2-ylmethyl)-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C34H31N3O2 MolecularWeight: 513.62884

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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)CN5CC6=CC=CC=C6C5

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CC6=CC=CC=C6C5

InChI

InChI=1S/C34H31N3O2/c1-2-30(24-13-5-3-6-14-24)35-33(38)32-28-19-11-12-20-29(28)34(39)37(27-17-7-4-8-18-27)31(32)23-36-21-25-15-9-10-16-26(25)22-36/h3-20,30H,2,21-23H2,1H3,(H,35,38)/t30-/m0/s1