2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]methyl]-3-oxidanyl-4-oxidanylidene-quinazoline-7-carboxylic acid

Systemtic Name: 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]methyl]-3-oxidanyl-4-oxidanylidene-quinazoline-7-carboxylic acid Openeye Name: 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-1-piperidyl]methyl]-3-hydroxy-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-piperidinyl]methyl]-3-hydroxy-4-oxo-7-quinazolinecarboxylic acid IUPAC Name: 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]methyl]-3-hydroxy-4-oxoquinazoline-7-carboxylic acid Traditional Name: 2-[[4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]piperidino]methyl]-3-hydroxy-4-keto-quinazoline-7-carboxylic acid Formula: C29H27FN6O4 MolecularWeight: 542.560883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CC5=NC6=C(C=CC(=C6)C(=O)O)C(=O)N5O

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CC5=NC6=C(C=CC(=C6)C(=O)O)C(=O)N5O

InChI

InChI=1S/C29H27FN6O4/c30-20-8-5-18(6-9-20)16-35-25-4-2-1-3-23(25)33-29(35)31-21-11-13-34(14-12-21)17-26-32-24-15-19(28(38)39)7-10-22(24)27(37)36(26)40/h1-10,15,21,40H,11-14,16-17H2,(H,31,33)(H,38,39)