4-(3-cyclopentylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyclopentylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyclopentylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyclopentyl-1-oxopropyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyclopentylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyclopentylpropanoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C21H28F3N3O2 MolecularWeight: 411.46113

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H28F3N3O2/c22-21(23,24)17-7-9-18(10-8-17)25-20(29)27-13-3-12-26(14-15-27)19(28)11-6-16-4-1-2-5-16/h7-10,16H,1-6,11-15H2,(H,25,29)