2-[5-(4-bromophenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(4-bromophenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanenitrile Openeye Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[5-[(4-bromophenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]acetonitrile IUPAC Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-[1-benzyl-5-(4-bromobenzoyl)pyrrol-2-yl]acetonitrile Formula: C20H15BrN2O MolecularWeight: 379.2499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC=C2C(=O)C3=CC=C(C=C3)Br)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC=C2C(=O)C3=CC=C(C=C3)Br)CC#N

InChI

InChI=1S/C20H15BrN2O/c21-17-8-6-16(7-9-17)20(24)19-11-10-18(12-13-22)23(19)14-15-4-2-1-3-5-15/h1-11H,12,14H2