3-[(cyclopropylamino)methyl]-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 3-[(cyclopropylamino)methyl]-N-[(1S)-2-oxidanylidene-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 3-[(cyclopropylamino)methyl]-N-[(1S)-2-oxo-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 3-[(cyclopropylamino)methyl]-N-[(1S)-2-oxo-1-phenylpropyl]-2-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 3-[(cyclopropylamino)methyl]-N-[(1S)-2-oxo-1-phenylpropyl]-2-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 3-[(cyclopropylamino)methyl]-N-[(1S)-2-keto-1-phenyl-propyl]-2-phenyl-1H-isoquinoline-4-carboxamide Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(N(CC3=CC=CC=C32)C4=CC=CC=C4)CNC5CC5

Isomeric SMILES

CC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=C(N(CC3=CC=CC=C32)C4=CC=CC=C4)CNC5CC5

InChI

InChI=1S/C29H29N3O2/c1-20(33)28(21-10-4-2-5-11-21)31-29(34)27-25-15-9-8-12-22(25)19-32(24-13-6-3-7-14-24)26(27)18-30-23-16-17-23/h2-15,23,28,30H,16-19H2,1H3,(H,31,34)/t28-/m1/s1