(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-[4-(4-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-(4-pyridin-4-yl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-[4-(4-pyridyl)piperazino]prop-2-en-1-one Formula: C20H26ClN5O MolecularWeight: 387.90634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCN(CC2)C3=CC=NC=C3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCN(CC2)C3=CC=NC=C3)Cl)CC(C)C

InChI

InChI=1S/C20H26ClN5O/c1-15(2)14-26-20(21)18(16(3)23-26)4-5-19(27)25-12-10-24(11-13-25)17-6-8-22-9-7-17/h4-9,15H,10-14H2,1-3H3/b5-4+