N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethyl]-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-[4-(2,3-dimethylphenyl)piperazino]ethyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C29H34N6O MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCN(CC3)C4=CC=CC(=C4C)C)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCN(CC3)C4=CC=CC(=C4C)C)N5C=CC=C5

InChI

InChI=1S/C29H34N6O/c1-22-9-11-25(12-10-22)35-29(34-14-4-5-15-34)26(21-31-35)28(36)30-13-16-32-17-19-33(20-18-32)27-8-6-7-23(2)24(27)3/h4-12,14-15,21H,13,16-20H2,1-3H3,(H,30,36)