1-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-5-methyl-pyrazolidin-3-one

Systemtic Name: 1-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-5-methyl-pyrazolidin-3-one Openeye Name: 1-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-5-methyl-pyrazolidin-3-one CAS Name: 1-[(E)-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-5-methyl-3-pyrazolidinone IUPAC Name: 1-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-5-methylpyrazolidin-3-one Traditional Name: 1-[(E)-3-(1,3-diphenylpyrazol-4-yl)acryloyl]-5-methyl-pyrazolidin-3-one Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN1C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NN1C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2/c1-16-14-20(27)23-26(16)21(28)13-12-18-15-25(19-10-6-3-7-11-19)24-22(18)17-8-4-2-5-9-17/h2-13,15-16H,14H2,1H3,(H,23,27)/b13-12+