2-[1-(2-chloranyl-4-phenyl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(2-chloranyl-4-phenyl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanenitrile Openeye Name: 2-[1-(2-chloro-4-phenyl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile CAS Name: 2-[1-[(2-chloro-4-phenylphenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile IUPAC Name: 2-[1-(2-chloro-4-phenylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Traditional Name: 2-[1-(2-chloro-4-phenyl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetonitrile Formula: C25H21ClN2O MolecularWeight: 400.90004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2N(C1)C(=O)C3=C(C=C(C=C3)C4=CC=CC=C4)Cl)CC#N

Isomeric SMILES

C1CC(C2=CC=CC=C2N(C1)C(=O)C3=C(C=C(C=C3)C4=CC=CC=C4)Cl)CC#N

InChI

InChI=1S/C25H21ClN2O/c26-23-17-20(18-7-2-1-3-8-18)12-13-22(23)25(29)28-16-6-9-19(14-15-27)21-10-4-5-11-24(21)28/h1-5,7-8,10-13,17,19H,6,9,14,16H2