3-[(3-nitrophenyl)methyl]-2-oxidanyl-1-(phenylmethyl)pyrimido[1,2-a]benzimidazol-4-one

Systemtic Name: 3-[(3-nitrophenyl)methyl]-2-oxidanyl-1-(phenylmethyl)pyrimido[1,2-a]benzimidazol-4-one Openeye Name: 1-benzyl-2-hydroxy-3-[(3-nitrophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one CAS Name: 2-hydroxy-3-[(3-nitrophenyl)methyl]-1-(phenylmethyl)-4-pyrimido[1,2-a]benzimidazolone IUPAC Name: 1-benzyl-2-hydroxy-3-[(3-nitrophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one Traditional Name: 1-benzyl-2-hydroxy-3-(3-nitrobenzyl)pyrimido[1,2-a]benzimidazol-4-one Formula: C24H18N4O4 MolecularWeight: 426.42412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)N3C2=NC4=CC=CC=C43)CC5=CC(=CC=C5)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)N3C2=NC4=CC=CC=C43)CC5=CC(=CC=C5)[N+](=O)[O-])O

InChI

InChI=1S/C24H18N4O4/c29-22-19(14-17-9-6-10-18(13-17)28(31)32)23(30)27-21-12-5-4-11-20(21)25-24(27)26(22)15-16-7-2-1-3-8-16/h1-13,29H,14-15H2