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

Systemtic Name: 4-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)-1-piperidyl]benzonitrile CAS Name: 4-[4-[oxo-(4-propan-2-yl-1,4-diazepan-1-yl)methyl]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-(4-propan-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]benzonitrile Traditional Name: 4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)piperidino]benzonitrile Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H30N4O/c1-17(2)23-10-3-11-25(15-14-23)21(26)19-8-12-24(13-9-19)20-6-4-18(16-22)5-7-20/h4-7,17,19H,3,8-15H2,1-2H3