4-[9-chloranyl-7,8-dimethoxy-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzamide

Systemtic Name: 4-[9-chloranyl-7,8-dimethoxy-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzamide Openeye Name: 4-(3-benzyl-9-chloro-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzamide CAS Name: 4-[9-chloro-7,8-dimethoxy-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzamide IUPAC Name: 4-(3-benzyl-9-chloro-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzamide Traditional Name: 4-(3-benzyl-9-chloro-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzamide Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCN(CC(C2=C1)C3=CC=C(C=C3)C(=O)N)CC4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C(=C2CCN(CC(C2=C1)C3=CC=C(C=C3)C(=O)N)CC4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C26H27ClN2O3/c1-31-23-14-21-20(24(27)25(23)32-2)12-13-29(15-17-6-4-3-5-7-17)16-22(21)18-8-10-19(11-9-18)26(28)30/h3-11,14,22H,12-13,15-16H2,1-2H3,(H2,28,30)