2-[[4-[(3-azanyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(3-azanyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(3-amino-1-keto-4H-benzo[f]quinazolin-9-yl)methylamino]benzoyl]amino]glutaric acid Formula: C25H23N5O6 MolecularWeight: 489.48002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C2C(=O)N=C(N3)N)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C2C(=O)N=C(N3)N)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H23N5O6/c26-25-29-18-8-5-14-2-1-13(11-17(14)21(18)23(34)30-25)12-27-16-6-3-15(4-7-16)22(33)28-19(24(35)36)9-10-20(31)32/h1-8,11,19,27H,9-10,12H2,(H,28,33)(H,31,32)(H,35,36)(H3,26,29,30,34)