(4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CN4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CN4C

InChI

InChI=1S/C21H24N6O3/c1-3-24-10-12-25(13-11-24)21(28)20-15-18(19-8-5-9-23(19)2)22-26(20)16-6-4-7-17(14-16)27(29)30/h4-9,14-15H,3,10-13H2,1-2H3/p+1