2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butanoate

Systemtic Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butanoate Openeye Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butanoate CAS Name: 2-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethylbutanoate IUPAC Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethylbutanoate Traditional Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-3,3-dimethyl-butyrate Formula: C29H29ClN3O4- MolecularWeight: 519.01126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)[O-])N1C2=CC=CC=C2C(CC(C1=O)NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(C(=O)[O-])N1C2=CC=CC=C2C(CC(C1=O)NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H30ClN3O4/c1-29(2,3)25(27(35)36)33-24-12-8-7-11-21(24)22(18-9-5-4-6-10-18)17-23(26(33)34)32-28(37)31-20-15-13-19(30)14-16-20/h4-16,22-23,25H,17H2,1-3H3,(H,35,36)(H2,31,32,37)/p-1