(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-3-4-12-26-21(22)19(17(2)23-26)10-11-20(27)25-15-13-24(14-16-25)18-8-6-5-7-9-18/h5-11H,3-4,12-16H2,1-2H3/b11-10+