tert-butyl 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-oxo-5-phenyl-3-(p-tolylcarbamoylamino)-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[(4-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-5-phenyl-3-(p-tolylcarbamoylamino)-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2C=C(C3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2C=C(C3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4/c1-20-14-16-22(17-15-20)31-29(36)32-25-18-24(21-10-6-5-7-11-21)23-12-8-9-13-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-18,25H,19H2,1-4H3,(H2,31,32,36)