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

Systemtic Name: 4-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)-1-piperidyl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4-[oxo-(4-propan-2-yl-1,4-diazepan-1-yl)methyl]-1-piperidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4-(4-propan-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)piperidino]-2-(trifluoromethyl)benzonitrile Formula: C22H29F3N4O MolecularWeight: 422.48707

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H29F3N4O/c1-16(2)27-8-3-9-29(13-12-27)21(30)17-6-10-28(11-7-17)19-5-4-18(15-26)20(14-19)22(23,24)25/h4-5,14,16-17H,3,6-13H2,1-2H3