(4-butoxyphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazino]methanone Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C

InChI

InChI=1S/C26H31N5O4/c1-4-5-16-35-23-9-6-21(7-10-23)26(32)29-14-12-28(13-15-29)22-8-11-24(31(33)34)25(18-22)30-20(3)17-19(2)27-30/h6-11,17-18H,4-5,12-16H2,1-3H3