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

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) adamantane-1-carboxylate Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester IUPAC Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C28H32ClNO2 MolecularWeight: 450.01218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C28H32ClNO2/c1-30-8-7-22-12-25(29)26(13-23(22)24(17-30)21-5-3-2-4-6-21)32-27(31)28-14-18-9-19(15-28)11-20(10-18)16-28/h2-6,12-13,18-20,24H,7-11,14-17H2,1H3