3-methyl-N-(3-methylbutyl)-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 3-methyl-N-(3-methylbutyl)-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-isopentyl-3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 3-methyl-N-(3-methylbutyl)-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 3-methyl-N-(3-methylbutyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-isoamyl-3-methyl-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)C(=O)NCCC(C)C)N3C=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)C(=O)NCCC(C)C)N3C=CC=C3

InChI

InChI=1S/C21H26N4O/c1-15(2)10-11-22-20(26)19-17(4)23-25(18-9-7-8-16(3)14-18)21(19)24-12-5-6-13-24/h5-9,12-15H,10-11H2,1-4H3,(H,22,26)