(E)-2-cyano-N-(2-methylphenyl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methylphenyl)-3-[1-(phenylmethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(o-tolyl)acrylamide Formula: C26H21N3O MolecularWeight: 391.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H21N3O/c1-19-9-5-7-13-24(19)28-26(30)21(16-27)15-22-18-29(17-20-10-3-2-4-11-20)25-14-8-6-12-23(22)25/h2-15,18H,17H2,1H3,(H,28,30)/b21-15+