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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-methyl-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: [3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29N5O3/c1-20-5-8-23(9-6-20)33-27(31-11-3-4-12-31)26(21(2)29-33)28(34)32-15-13-30(14-16-32)18-22-7-10-24-25(17-22)36-19-35-24/h3-12,17H,13-16,18-19H2,1-2H3