N-[2-(4-bromophenyl)carbonyl-4-cyano-5-methyl-1-phenyl-pyrrol-3-yl]ethanamide

Systemtic Name: N-[2-(4-bromophenyl)carbonyl-4-cyano-5-methyl-1-phenyl-pyrrol-3-yl]ethanamide Openeye Name: N-[2-(4-bromobenzoyl)-4-cyano-5-methyl-1-phenyl-pyrrol-3-yl]acetamide CAS Name: N-[2-[(4-bromophenyl)-oxomethyl]-4-cyano-5-methyl-1-phenyl-3-pyrrolyl]acetamide IUPAC Name: N-[2-(4-bromobenzoyl)-4-cyano-5-methyl-1-phenylpyrrol-3-yl]acetamide Traditional Name: N-[2-(4-bromobenzoyl)-4-cyano-5-methyl-1-phenyl-pyrrol-3-yl]acetamide Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br)NC(=O)C)C#N

Isomeric SMILES

CC1=C(C(=C(N1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br)NC(=O)C)C#N

InChI

InChI=1S/C21H16BrN3O2/c1-13-18(12-23)19(24-14(2)26)20(25(13)17-6-4-3-5-7-17)21(27)15-8-10-16(22)11-9-15/h3-11H,1-2H3,(H,24,26)