N-[3-(dibutylamino)propyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(dibutylamino)propyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(dibutylamino)propyl]-3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-(dibutylamino)propyl]-3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(dibutylamino)propyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(dibutylamino)propyl]-3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C27H39N5O MolecularWeight: 449.63146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCCCN(CCCC)CCCNC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C27H39N5O/c1-5-7-17-30(18-8-6-2)19-11-16-28-26(33)25-23(4)29-32(24-14-12-22(3)13-15-24)27(25)31-20-9-10-21-31/h9-10,12-15,20-21H,5-8,11,16-19H2,1-4H3,(H,28,33)