3-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazole-4-carboxamide Formula: C27H28ClN6O+ MolecularWeight: 488.00382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H27ClN6O/c1-32-13-15-33(16-14-32)25-12-11-23(17-29-25)30-27(35)24-19-34(18-20-5-3-2-4-6-20)31-26(24)21-7-9-22(28)10-8-21/h2-12,17,19H,13-16,18H2,1H3,(H,30,35)/p+1