2-[4-bromanyl-5-(3,4-dichlorophenyl)carbonyl-1-propyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-5-(3,4-dichlorophenyl)carbonyl-1-propyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-5-(3,4-dichlorobenzoyl)-1-propyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[(3,4-dichlorophenyl)-oxomethyl]-1-propyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-bromo-5-(3,4-dichlorobenzoyl)-1-propylpyrrol-2-yl]acetonitrile Traditional Name: 2-[4-bromo-5-(3,4-dichlorobenzoyl)-1-propyl-pyrrol-2-yl]acetonitrile Formula: C16H13BrCl2N2O MolecularWeight: 400.09722

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C(=O)C2=CC(=C(C=C2)Cl)Cl)Br)CC#N

Isomeric SMILES

CCCN1C(=CC(=C1C(=O)C2=CC(=C(C=C2)Cl)Cl)Br)CC#N

InChI

InChI=1S/C16H13BrCl2N2O/c1-2-7-21-11(5-6-20)9-12(17)15(21)16(22)10-3-4-13(18)14(19)8-10/h3-4,8-9H,2,5,7H2,1H3