N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]-2-methyl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenyl-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-phenylpyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-phenyl-pyrazol-3-yl]-2-methyl-benzamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C24H27N5O2/c1-3-27-13-15-28(16-14-27)24(31)21-17-25-29(19-10-5-4-6-11-19)22(21)26-23(30)20-12-8-7-9-18(20)2/h4-12,17H,3,13-16H2,1-2H3,(H,26,30)/p+1