2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-methyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-methyl-phenyl]ethanenitrile Openeye Name: 2-[2-amino-3-(4-bromobenzoyl)-5-methyl-phenyl]acetonitrile CAS Name: 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]-5-methylphenyl]acetonitrile IUPAC Name: 2-[2-amino-3-(4-bromobenzoyl)-5-methylphenyl]acetonitrile Traditional Name: 2-[2-amino-3-(4-bromobenzoyl)-5-methyl-phenyl]acetonitrile Formula: C16H13BrN2O MolecularWeight: 329.19122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC#N

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC#N

InChI

InChI=1S/C16H13BrN2O/c1-10-8-12(6-7-18)15(19)14(9-10)16(20)11-2-4-13(17)5-3-11/h2-5,8-9H,6,19H2,1H3