2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]benzonitrile CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[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=C3C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H27N3O/c21-15-18-7-3-4-8-19(18)16-22-13-9-17(10-14-22)20(24)23-11-5-1-2-6-12-23/h3-4,7-8,17H,1-2,5-6,9-14,16H2