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

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 3-methylbutanoate Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 3-methylbutanoate CAS Name: 3-methylbutanoic 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) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C22H26ClNO2 MolecularWeight: 371.90034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO2/c1-15(2)11-22(25)26-21-13-18-17(12-20(21)23)9-10-24(3)14-19(18)16-7-5-4-6-8-16/h4-8,12-13,15,19H,9-11,14H2,1-3H3