N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butanamide

Systemtic Name: N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butanamide Openeye Name: N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]butanamide CAS Name: N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]butanamide IUPAC Name: N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butanamide Traditional Name: N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]butyramide Formula: C21H25F3N4O MolecularWeight: 406.44461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c1-2-18(20(29)26-17-7-4-3-5-8-17)27-11-6-12-28(14-13-27)19-10-9-16(15-25-19)21(22,23)24/h3-5,7-10,15,18H,2,6,11-14H2,1H3,(H,26,29)