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

Systemtic Name: 1-(3-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-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(3-methylphenyl)-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-1-(m-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(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

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

InChI

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