(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-o-phenetylpiperazino)prop-2-en-1-one Formula: C23H31ClN4O2 MolecularWeight: 430.97084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCN(CC2)C3=CC=CC=C3OCC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3OCC)Cl

InChI

InChI=1S/C23H31ClN4O2/c1-4-6-13-28-23(24)19(18(3)25-28)11-12-22(29)27-16-14-26(15-17-27)20-9-7-8-10-21(20)30-5-2/h7-12H,4-6,13-17H2,1-3H3/b12-11+