[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone

Systemtic Name: [1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone Openeye Name: (2-methyl-1-piperidyl)-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-(2-methyl-1-piperidinyl)methanone IUPAC Name: [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone Traditional Name: (2-methylpiperidino)-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C)N4C=CC=C4

Isomeric SMILES

CC1CCCCN1C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C)N4C=CC=C4

InChI

InChI=1S/C21H24N4O/c1-16-8-10-18(11-9-16)25-20(23-12-5-6-13-23)19(15-22-25)21(26)24-14-4-3-7-17(24)2/h5-6,8-13,15,17H,3-4,7,14H2,1-2H3