(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)-1-[4-(o-tolylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-ethyl-5-methyl-4-pyrazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)-1-[4-(2-methylbenzyl)piperazino]prop-2-en-1-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C=CC(=O)N2CCN(CC2)CC3=CC=CC=C3C)C

Isomeric SMILES

CCN1C(=C(C=N1)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=C3C)C

InChI

InChI=1S/C21H28N4O/c1-4-25-18(3)19(15-22-25)9-10-21(26)24-13-11-23(12-14-24)16-20-8-6-5-7-17(20)2/h5-10,15H,4,11-14,16H2,1-3H3/b10-9+