[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5,7-dimethyl-6-(o-tolylmethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[5,7-dimethyl-6-[(2-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone Traditional Name: [5,7-dimethyl-6-(2-methylbenzyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-piperonylpiperazino)methanone Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(N3C(=C(C=N3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)N=C2C)C

Isomeric SMILES

CC1=CC=CC=C1CC2=C(N3C(=C(C=N3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)N=C2C)C

InChI

InChI=1S/C29H31N5O3/c1-19-6-4-5-7-23(19)15-24-20(2)31-28-25(16-30-34(28)21(24)3)29(35)33-12-10-32(11-13-33)17-22-8-9-26-27(14-22)37-18-36-26/h4-9,14,16H,10-13,15,17-18H2,1-3H3