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

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzonitrile Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c21-15-16-6-5-7-18(14-16)20(25)23-12-8-17(9-13-23)19(24)22-10-3-1-2-4-11-22/h5-7,14,17H,1-4,8-13H2