3-(2-azanylethyl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1-benzazepin-2-one hydrochloride

Systemtic Name: 3-(2-azanylethyl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1-benzazepin-2-one hydrochloride Openeye Name: 3-(2-aminoethyl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1-benzazepin-2-one hydrochloride CAS Name: 3-(2-aminoethyl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1-benzazepin-2-one hydrochloride IUPAC Name: 3-(2-aminoethyl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1-benzazepin-2-one hydrochloride Traditional Name: 3-(2-aminoethyl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1-benzazepin-2-one hydrochloride Formula: C20H18ClF3N2O2 MolecularWeight: 410.81733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C3C=CC=C(C3=C2)C(F)(F)F)CCN.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C3C=CC=C(C3=C2)C(F)(F)F)CCN.Cl

InChI

InChI=1S/C20H17F3N2O2.ClH/c1-27-13-7-5-12(6-8-13)15-11-16-17(20(21,22)23)3-2-4-18(16)25-19(26)14(15)9-10-24;/h2-8,11H,9-10,24H2,1H3;1H