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

Systemtic Name: (E)-2-cyano-3-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[2-methyl-1-(o-tolylmethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2-methyl-1-[(2-methylphenyl)methyl]-3-indolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[2-methyl-1-(2-methylbenzyl)indol-3-yl]acrylamide Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C=C(C#N)C(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C28H25N3O/c1-20-10-6-7-13-23(20)19-31-21(2)26(25-14-8-9-15-27(25)31)16-24(17-29)28(32)30-18-22-11-4-3-5-12-22/h3-16H,18-19H2,1-2H3,(H,30,32)/b24-16+