1-[(3S)-5-(4-methylphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-5-(4-methylphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(p-tolyl)-3-[(E)-styryl]-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(4-methylphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(4-methylphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(p-tolyl)-5-[(E)-styryl]-2-pyrazolin-1-yl]propan-1-one Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)C)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O/c1-3-21(24)23-19(14-11-17-7-5-4-6-8-17)15-20(22-23)18-12-9-16(2)10-13-18/h4-14,19H,3,15H2,1-2H3/b14-11+/t19-/m1/s1