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

Systemtic Name: 3-(3-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3-methoxyphenyl)-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]pyrazole-4-carboxamide Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N6O2/c1-33-13-15-34(16-14-33)27-12-11-23(18-30-27)19-31-29(36)26-21-35(20-22-7-4-3-5-8-22)32-28(26)24-9-6-10-25(17-24)37-2/h3-12,17-18,21H,13-16,19-20H2,1-2H3,(H,31,36)