3,3-diphenyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3,3-diphenyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3,3-diphenyl-1-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3,3-diphenyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3,3-diphenyl-1-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3,3-diphenyl-1-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-1-one Formula: C26H26F3N3O MolecularWeight: 453.49935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H26F3N3O/c27-26(28,29)22-12-13-24(30-19-22)31-14-7-15-32(17-16-31)25(33)18-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-13,19,23H,7,14-18H2