1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-2H-azepin-7-one

Systemtic Name: 1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-2H-azepin-7-one Openeye Name: 1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-2H-azepin-7-one CAS Name: 1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-2H-azepin-7-one IUPAC Name: 1-(1-phenyl-2-pyrrolidin-1-ylethyl)-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-2H-azepin-7-one Traditional Name: 1-(1-phenyl-2-pyrrolidino-ethyl)-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-2H-azepin-7-one Formula: C25H27F3N2O MolecularWeight: 428.48989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C2=CC=CC=C2)N3CC=CCC(C3=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CC(C2=CC=CC=C2)N3CC=CCC(C3=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H27F3N2O/c26-25(27,28)21-13-11-19(12-14-21)22-10-4-5-17-30(24(22)31)23(18-29-15-6-7-16-29)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2