tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C29H28ClN3O4 MolecularWeight: 518.00332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O4/c1-29(2,3)37-26(34)18-33-25-15-8-7-14-22(25)23(19-10-5-4-6-11-19)17-24(27(33)35)32-28(36)31-21-13-9-12-20(30)16-21/h4-17,24H,18H2,1-3H3,(H2,31,32,36)