(1R)-5-cyano-3-oxidanylidene-2-(1-phenylethyl)-N-(phenylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: (1R)-5-cyano-3-oxidanylidene-2-(1-phenylethyl)-N-(phenylmethyl)-1H-isoindole-1-carboxamide Openeye Name: (1R)-N-benzyl-5-cyano-3-oxo-2-(1-phenylethyl)isoindoline-1-carboxamide CAS Name: (1R)-5-cyano-3-oxo-2-(1-phenylethyl)-N-(phenylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: (1R)-N-benzyl-5-cyano-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide Traditional Name: (1R)-N-benzyl-5-cyano-3-keto-2-(1-phenylethyl)isoindoline-1-carboxamide Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(C3=C(C2=O)C=C(C=C3)C#N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)N2[C@H](C3=C(C2=O)C=C(C=C3)C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2/c1-17(20-10-6-3-7-11-20)28-23(24(29)27-16-18-8-4-2-5-9-18)21-13-12-19(15-26)14-22(21)25(28)30/h2-14,17,23H,16H2,1H3,(H,27,29)/t17?,23-/m1/s1