ethyl 2-[4-oxidanylidene-1-[4-[[2-(2,4,6-trimethylphenyl)phenyl]carbonylamino]phenyl]carbonyl-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-1-[4-[[2-(2,4,6-trimethylphenyl)phenyl]carbonylamino]phenyl]carbonyl-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-1-[4-[[2-(2,4,6-trimethylphenyl)benzoyl]amino]benzoyl]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[4-oxo-1-[oxo-[4-[[oxo-[2-(2,4,6-trimethylphenyl)phenyl]methyl]amino]phenyl]methyl]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-1-[4-[[2-(2,4,6-trimethylphenyl)benzoyl]amino]benzoyl]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[4-keto-1-[4-[(2-mesitylbenzoyl)amino]benzoyl]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C36H35N3O5 MolecularWeight: 589.6802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=C(C=C(C=C5C)C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=C(C=C(C=C5C)C)C

InChI

InChI=1S/C36H35N3O5/c1-5-44-33(41)22-39-31-13-9-8-12-30(31)38(19-18-32(39)40)36(43)26-14-16-27(17-15-26)37-35(42)29-11-7-6-10-28(29)34-24(3)20-23(2)21-25(34)4/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,37,42)