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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrazol-1-yl-benzamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C23H27N5O/c1-3-26-13-15-27(16-14-26)21-9-10-22(18(2)17-21)25-23(29)19-5-7-20(8-6-19)28-12-4-11-24-28/h4-12,17H,3,13-16H2,1-2H3,(H,25,29)/p+1