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

Systemtic Name: tert-butyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O4/c1-23(2,3)31-20(28)14-27-19-7-5-4-6-15(19)8-13-18(21(27)29)26-22(30)25-17-11-9-16(24)10-12-17/h4-7,9-12,18H,8,13-14H2,1-3H3,(H2,25,26,30)