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

Systemtic Name: 9-chloranyl-5-oxidanyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one; ethanoic acid Openeye Name: acetic acid; 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: acetic acid; 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: acetic acid; 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: acetic acid; 9-chloro-5-hydroxy-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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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=C2C=C(C=C4)Cl)O

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=NC(C3=NC(=O)C=CN3C4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C18H12ClN3O2.C2H4O2/c19-12-6-7-14-13(10-12)16(11-4-2-1-3-5-11)21-18(24)17-20-15(23)8-9-22(14)17;1-2(3)4/h1-10,18,24H;1H3,(H,3,4)