2-[4-bromanyl-5-(3-chlorophenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-5-(3-chlorophenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-5-(3-chlorobenzoyl)-1-isopropyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[(3-chlorophenyl)-oxomethyl]-1-propan-2-yl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-bromo-5-(3-chlorobenzoyl)-1-propan-2-ylpyrrol-2-yl]acetonitrile Traditional Name: 2-[4-bromo-5-(3-chlorobenzoyl)-1-isopropyl-pyrrol-2-yl]acetonitrile Formula: C16H14BrClN2O MolecularWeight: 365.65216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=C1C(=O)C2=CC(=CC=C2)Cl)Br)CC#N

Isomeric SMILES

CC(C)N1C(=CC(=C1C(=O)C2=CC(=CC=C2)Cl)Br)CC#N

InChI

InChI=1S/C16H14BrClN2O/c1-10(2)20-13(6-7-19)9-14(17)15(20)16(21)11-4-3-5-12(18)8-11/h3-5,8-10H,6H2,1-2H3