4-(4-methoxyphenyl)-3-propyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 4-(4-methoxyphenyl)-3-propyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 4-(4-methoxyphenyl)-3-propyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 4-(4-methoxyphenyl)-3-propyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 4-(4-methoxyphenyl)-3-propyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 4-(4-methoxyphenyl)-3-propyl-7-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H22F3NO2 MolecularWeight: 377.40009

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CC2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC1C(CC2=C(C=CC(=C2)C(F)(F)F)NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22F3NO2/c1-3-4-17-18(13-5-8-16(27-2)9-6-13)12-14-11-15(21(22,23)24)7-10-19(14)25-20(17)26/h5-11,17-18H,3-4,12H2,1-2H3,(H,25,26)