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

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 4-methylbenzoate Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic 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) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C25H24ClNO2 MolecularWeight: 405.91656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3CCN(CC(C3=C2)C4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3CCN(CC(C3=C2)C4=CC=CC=C4)C)Cl

InChI

InChI=1S/C25H24ClNO2/c1-17-8-10-19(11-9-17)25(28)29-24-15-21-20(14-23(24)26)12-13-27(2)16-22(21)18-6-4-3-5-7-18/h3-11,14-15,22H,12-13,16H2,1-2H3