3-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(azepane-1-carbonyl)piperidino]methyl]benzonitrile Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H27N3O/c21-15-17-6-5-7-18(14-17)16-22-12-8-19(9-13-22)20(24)23-10-3-1-2-4-11-23/h5-7,14,19H,1-4,8-13,16H2