2-[(4-bromophenyl)amino]-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)amino]-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-bromoanilino)acetamide CAS Name: 2-(4-bromoanilino)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(4-bromoanilino)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-bromoanilino)acetamide Formula: C22H21BrN4O MolecularWeight: 437.33234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CNC2=CC=C(C=C2)Br)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CNC2=CC=C(C=C2)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21BrN4O/c1-15-16(2)27(14-17-6-4-3-5-7-17)22(20(15)12-24)26-21(28)13-25-19-10-8-18(23)9-11-19/h3-11,25H,13-14H2,1-2H3,(H,26,28)