tert-butyl 2-[3-[(4-dimethylaminophenyl)carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(4-dimethylaminophenyl)carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[[4-(dimethylamino)benzoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[(4-dimethylaminophenyl)-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[4-(dimethylamino)benzoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[[4-(dimethylamino)benzoyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)32-22(29)16-28-21-9-7-6-8-17(21)12-15-20(24(28)31)26-23(30)18-10-13-19(14-11-18)27(4)5/h6-11,13-14,20H,12,15-16H2,1-5H3,(H,26,30)