[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-isopropylphenyl)-5-pyrrol-1-yl-pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(4-propan-2-ylphenyl)-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-propan-2-ylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone Traditional Name: (1-p-cumenyl-5-pyrrol-1-yl-pyrazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O3/c1-21(2)23-6-8-24(9-7-23)34-28(32-11-3-4-12-32)25(18-30-34)29(35)33-15-13-31(14-16-33)19-22-5-10-26-27(17-22)37-20-36-26/h3-12,17-18,21H,13-16,19-20H2,1-2H3