3-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]propanenitrile

Systemtic Name: 3-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]propanenitrile Openeye Name: 3-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanenitrile CAS Name: 3-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]propanenitrile IUPAC Name: 3-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanenitrile Traditional Name: 3-(4-m-toluoyl-1,4-diazepan-1-yl)propionitrile Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CCC#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CCC#N

InChI

InChI=1S/C16H21N3O/c1-14-5-2-6-15(13-14)16(20)19-10-4-9-18(11-12-19)8-3-7-17/h2,5-6,13H,3-4,8-12H2,1H3