이름: end product
IUPAC: 8-chloro-2-(hydroxymethyl)-6-phenyl-5,6-dihydropyrazolo[1,5-a][1,4]benzodiazepin-4-one
SMILES:
O=C1NC(c2ccccc2)c2cc(Cl)ccc2-n2nc(CO)cc21Canonical SMILES:
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)N4C(=CC(=N4)CO)C(=O)N2분자식: C18H14ClN3O2
분자량: 339.80
InChIKey: LYZAQPHLAYKYII-UHFFFAOYSA-N
InChI:
PubChem CID: 12377890 →InChI=1S/C18H14ClN3O2/c19-12-6-7-15-14(8-12)17(11-4-2-1-3-5-11)20-18(24)16-9-13(10-23)21-22(15)16/h1-9,17,23H,10H2,(H,20,24)동의어
SCHEMBL11528510LYZAQPHLAYKYII-UHFFFAOYSA-N8-Chloro-5,6-dihydro-4-oxo-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepine-2-methanol