N-[(5-methyl-1-phenyl-pyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine

Systemtic Name: N-[(5-methyl-1-phenyl-pyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Openeye Name: N-[(5-methyl-1-phenyl-pyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine CAS Name: N-[(5-methyl-1-phenyl-3-pyrazolyl)methyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]ethanamine IUPAC Name: N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine Traditional Name: (5-methyl-1-phenyl-pyrazol-3-yl)methyl-[2-[4-(4-nitrophenyl)piperazino]ethyl]amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2)CNCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2)CNCCN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O2/c1-19-17-20(25-28(19)22-5-3-2-4-6-22)18-24-11-12-26-13-15-27(16-14-26)21-7-9-23(10-8-21)29(30)31/h2-10,17,24H,11-16,18H2,1H3