[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: (4-piperonylpiperazino)-[1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6C=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6C=CC=C6

InChI

InChI=1S/C27H27N5O3/c1-20-4-7-22(8-5-20)32-26(30-10-2-3-11-30)23(17-28-32)27(33)31-14-12-29(13-15-31)18-21-6-9-24-25(16-21)35-19-34-24/h2-11,16-17H,12-15,18-19H2,1H3