3-[(3-methylphenyl)-[2-[3-oxidanylidene-1-phenyl-2-(phenylmethyl)isoindol-1-yl]oxyethyl]amino]propanenitrile

Systemtic Name: 3-[(3-methylphenyl)-[2-[3-oxidanylidene-1-phenyl-2-(phenylmethyl)isoindol-1-yl]oxyethyl]amino]propanenitrile Openeye Name: 3-[N-[2-(2-benzyl-3-oxo-1-phenyl-isoindolin-1-yl)oxyethyl]-3-methyl-anilino]propanenitrile CAS Name: 3-[3-methyl-N-[2-[[3-oxo-1-phenyl-2-(phenylmethyl)-1-isoindolyl]oxy]ethyl]anilino]propanenitrile IUPAC Name: 3-[N-[2-(2-benzyl-3-oxo-1-phenylisoindol-1-yl)oxyethyl]-3-methylanilino]propanenitrile Traditional Name: 3-[N-[2-(2-benzyl-3-keto-1-phenyl-isoindolin-1-yl)oxyethyl]-3-methyl-anilino]propionitrile Formula: C33H31N3O2 MolecularWeight: 501.61814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC#N)CCOC2(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC#N)CCOC2(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O2/c1-26-12-10-17-29(24-26)35(21-11-20-34)22-23-38-33(28-15-6-3-7-16-28)31-19-9-8-18-30(31)32(37)36(33)25-27-13-4-2-5-14-27/h2-10,12-19,24H,11,21-23,25H2,1H3