1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyrazole-4-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4-pyrazolecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C28H31N7O2 MolecularWeight: 497.59144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H31N7O2/c1-3-37-27-14-13-26(31-32-27)35-21(2)25(19-29-35)28(36)30-23-9-11-24(12-10-23)34-17-15-33(16-18-34)20-22-7-5-4-6-8-22/h4-14,19H,3,15-18,20H2,1-2H3,(H,30,36)