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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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