diethyl 2-[[4-[(3-azanyl-1-oxidanylidene-4H-benzo[f]quinazolin-7-yl)amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(3-azanyl-1-oxidanylidene-4H-benzo[f]quinazolin-7-yl)amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-7-yl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-7-yl)amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-7-yl)amino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(3-amino-1-keto-4H-benzo[f]quinazolin-7-yl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CC=CC3=C2C=CC4=C3C(=O)N=C(N4)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CC=CC3=C2C=CC4=C3C(=O)N=C(N4)N

InChI

InChI=1S/C28H29N5O6/c1-3-38-23(34)15-14-22(27(37)39-4-2)31-25(35)16-8-10-17(11-9-16)30-20-7-5-6-19-18(20)12-13-21-24(19)26(36)33-28(29)32-21/h5-13,22,30H,3-4,14-15H2,1-2H3,(H,31,35)(H3,29,32,33,36)