[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-[5-methyl-1-(m-tolyl)pyrazol-4-yl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-[5-methyl-1-(3-methylphenyl)-4-pyrazolyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-[5-methyl-1-(m-tolyl)pyrazol-4-yl]methanone Formula: C25H28N4O2 MolecularWeight: 416.51542

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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)OCC5)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C

InChI

InChI=1S/C25H28N4O2/c1-18-4-3-5-22(14-18)29-19(2)23(16-26-29)25(30)28-11-9-27(10-12-28)17-20-6-7-24-21(15-20)8-13-31-24/h3-7,14-16H,8-13,17H2,1-2H3