4-[[4-[1-(3,5-dimethylphenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(3,5-dimethylphenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-[(3,5-dimethylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(3,5-dimethylbenzoyl)nipecotoyl]piperazino]methyl]benzonitrile Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H32N4O2/c1-20-14-21(2)16-25(15-20)27(33)31-9-3-4-24(19-31)26(32)30-12-10-29(11-13-30)18-23-7-5-22(17-28)6-8-23/h5-8,14-16,24H,3-4,9-13,18-19H2,1-2H3