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

Systemtic Name: 1-(4-methylphenyl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-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)NCCCN3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C29H34N6O/c1-24-10-12-26(13-11-24)35-29(34-16-5-6-17-34)27(22-31-35)28(36)30-14-7-15-32-18-20-33(21-19-32)23-25-8-3-2-4-9-25/h2-6,8-13,16-17,22H,7,14-15,18-21,23H2,1H3,(H,30,36)