5-methyl-4-[[2-(phenylmethyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[[2-(phenylmethyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[(2-benzylchroman-6-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[[2-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-6-yl]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(2-benzylchroman-6-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CC2=CC3=C(C=C2)OC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)NN1)CC2=CC3=C(C=C2)OC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c1-14-19(21(24)23-22-14)13-16-7-10-20-17(11-16)8-9-18(25-20)12-15-5-3-2-4-6-15/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,22,23,24)