1,5-dimethyl-4-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]-2-phenyl-pyrazol-3-one Openeye Name: 4-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O

InChI

InChI=1S/C22H21N3O4/c1-13-18(26)10-9-17-15(11-19(27)29-21(13)17)12-23-20-14(2)24(3)25(22(20)28)16-7-5-4-6-8-16/h4-11,23,26H,12H2,1-3H3