1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-phenyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-phenyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-phenyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]butane-1,4-dione Formula: C21H22F3N3O2 MolecularWeight: 405.41349

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC(=O)C2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC(=O)C2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2/c22-21(23,24)17-7-9-19(25-15-17)26-11-4-12-27(14-13-26)20(29)10-8-18(28)16-5-2-1-3-6-16/h1-3,5-7,9,15H,4,8,10-14H2