[(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-chloranylbenzoate

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-chloranylbenzoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C24H21Cl2NO2 MolecularWeight: 426.33504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H21Cl2NO2/c1-27-12-11-18-13-22(26)23(29-24(28)17-7-9-19(25)10-8-17)14-20(18)21(15-27)16-5-3-2-4-6-16/h2-10,13-14,21H,11-12,15H2,1H3/t21-/m0/s1