[8-acetyloxy-9-chloranyl-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ethanoate

Systemtic Name: [8-acetyloxy-9-chloranyl-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ethanoate Openeye Name: (8-acetoxy-3-benzyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate CAS Name: acetic acid [8-acetyloxy-9-chloro-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: (8-acetyloxy-3-benzyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate Traditional Name: acetic acid (8-acetoxy-3-benzyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C27H26ClNO4 MolecularWeight: 463.95264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)Cl)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)Cl)OC(=O)C

InChI

InChI=1S/C27H26ClNO4/c1-18(30)32-25-15-23-22(26(28)27(25)33-19(2)31)13-14-29(16-20-9-5-3-6-10-20)17-24(23)21-11-7-4-8-12-21/h3-12,15,24H,13-14,16-17H2,1-2H3