(8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) benzoate hydrochloride

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) benzoate hydrochloride Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) benzoate hydrochloride CAS Name: benzoic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester hydrochloride IUPAC Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) benzoate hydrochloride Traditional Name: benzoic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester hydrochloride Formula: C24H23Cl2NO2 MolecularWeight: 428.35092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)Cl.Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)Cl.Cl

InChI

InChI=1S/C24H22ClNO2.ClH/c1-26-13-12-19-14-22(25)23(28-24(27)18-10-6-3-7-11-18)15-20(19)21(16-26)17-8-4-2-5-9-17;/h2-11,14-15,21H,12-13,16H2,1H3;1H