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

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(4-nitrophenyl)piperazino]prop-2-en-1-one Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H26ClN5O3/c1-3-4-11-26-21(22)19(16(2)23-26)9-10-20(28)25-14-12-24(13-15-25)17-5-7-18(8-6-17)27(29)30/h5-10H,3-4,11-15H2,1-2H3/b10-9+