2-[5-methyl-4-[(E)-3-[4-(3-nitrophenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine

Systemtic Name: 2-[5-methyl-4-[(E)-3-[4-(3-nitrophenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine Openeye Name: 2-[5-methyl-4-[(E)-3-[4-(3-nitrophenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine CAS Name: 2-[5-methyl-4-[(E)-3-[4-(3-nitrophenyl)-1-piperazinyl]prop-1-enyl]-1-pyrazolyl]pyrimidine IUPAC Name: 2-[5-methyl-4-[(E)-3-[4-(3-nitrophenyl)piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine Traditional Name: 2-[5-methyl-4-[(E)-3-[4-(3-nitrophenyl)piperazino]prop-1-enyl]pyrazol-1-yl]pyrimidine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C=CCN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)/C=C/CN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O2/c1-17-18(16-24-27(17)21-22-8-4-9-23-21)5-3-10-25-11-13-26(14-12-25)19-6-2-7-20(15-19)28(29)30/h2-9,15-16H,10-14H2,1H3/b5-3+