3-[(4-nitrophenyl)methyl]-5-phenyl-imidazo[4,5-c][1,8]naphthyridin-4-one hydrate

Systemtic Name: 3-[(4-nitrophenyl)methyl]-5-phenyl-imidazo[4,5-c][1,8]naphthyridin-4-one hydrate Openeye Name: 3-[(4-nitrophenyl)methyl]-5-phenyl-imidazo[4,5-c][1,8]naphthyridin-4-one hydrate CAS Name: 3-[(4-nitrophenyl)methyl]-5-phenyl-4-imidazo[4,5-c][1,8]naphthyridinone hydrate IUPAC Name: 3-[(4-nitrophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one hydrate Traditional Name: 3-(4-nitrobenzyl)-5-phenyl-imidazo[4,5-c][1,8]naphthyridin-4-one hydrate Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=CC=N3)C4=C(C2=O)N(C=N4)CC5=CC=C(C=C5)[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=CC=N3)C4=C(C2=O)N(C=N4)CC5=CC=C(C=C5)[N+](=O)[O-].O

InChI

InChI=1S/C22H15N5O3.H2O/c28-22-20-19(24-14-25(20)13-15-8-10-17(11-9-15)27(29)30)18-7-4-12-23-21(18)26(22)16-5-2-1-3-6-16;/h1-12,14H,13H2;1H2