ethanoic acid; 5-oxidanyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: ethanoic acid; 5-oxidanyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: acetic acid; 5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: acetic acid; 5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: acetic acid; 5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: acetic acid; 5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=NC(C3=NC(=O)C=CN3C4=CC=CC=C42)O

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=NC(C3=NC(=O)C=CN3C4=CC=CC=C42)O

InChI

InChI=1S/C18H13N3O2.C2H4O2/c22-15-10-11-21-14-9-5-4-8-13(14)16(12-6-2-1-3-7-12)20-18(23)17(21)19-15;1-2(3)4/h1-11,18,23H;1H3,(H,3,4)