2-chloranyl-4-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-1-piperidyl]benzonitrile CAS Name: 2-chloro-4-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-1-piperidinyl]benzonitrile IUPAC Name: 2-chloro-4-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)piperidino]benzonitrile Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCCN(CC2)C(=O)C3CCN(CC3)C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CC(C1)N2CCCN(CC2)C(=O)C3CCN(CC3)C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H29ClN4O/c23-21-15-20(6-5-18(21)16-24)26-11-7-17(8-12-26)22(28)27-10-2-9-25(13-14-27)19-3-1-4-19/h5-6,15,17,19H,1-4,7-14H2