1-[(2-chlorophenyl)methyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]pyrazole-4-carboxamide Formula: C24H29ClN5O+ MolecularWeight: 438.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C24H28ClN5O/c1-3-28-10-12-29(13-11-28)21-8-9-23(18(2)14-21)27-24(31)20-15-26-30(17-20)16-19-6-4-5-7-22(19)25/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,27,31)/p+1