1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-4-(4-methoxyphenyl)piperazine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O3/c1-16-14-17(2)26(23-16)22-15-19(6-9-21(22)27(28)29)25-12-10-24(11-13-25)18-4-7-20(30-3)8-5-18/h4-9,14-15H,10-13H2,1-3H3