1-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C21H22F3N5O MolecularWeight: 417.42749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4C=C(C(=N4)C(F)(F)F)C#N

Isomeric SMILES

C1CC(C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4C=C(C(=N4)C(F)(F)F)C#N

InChI

InChI=1S/C21H22F3N5O/c22-21(23,24)19-16(13-25)14-29(26-19)18-7-5-15(6-8-18)20(30)28-10-2-9-27(11-12-28)17-3-1-4-17/h5-8,14,17H,1-4,9-12H2