3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide Openeye Name: 3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide CAS Name: 3-[1-[(4-bromophenyl)methyl]-3-indolyl]-2-cyano-N-(2,4-dimethylphenyl)-2-propenamide IUPAC Name: 3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide Traditional Name: 3-[1-(4-bromobenzyl)indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)acrylamide Formula: C27H22BrN3O MolecularWeight: 484.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br)C#N)C

InChI

InChI=1S/C27H22BrN3O/c1-18-7-12-25(19(2)13-18)30-27(32)21(15-29)14-22-17-31(26-6-4-3-5-24(22)26)16-20-8-10-23(28)11-9-20/h3-14,17H,16H2,1-2H3,(H,30,32)