4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-2-methyl-5-(3-methylphenyl)pyrimidine

Systemtic Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-2-methyl-5-(3-methylphenyl)pyrimidine Openeye Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidyl]-2-methyl-5-(m-tolyl)pyrimidine CAS Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidinyl]-2-methyl-5-(3-methylphenyl)pyrimidine IUPAC Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-2-methyl-5-(3-methylphenyl)pyrimidine Traditional Name: 4-[1-(coumaran-5-ylmethyl)-3-piperidyl]-2-methyl-5-(m-tolyl)pyrimidine Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)CC4=CC5=C(C=C4)OCC5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)CC4=CC5=C(C=C4)OCC5)C

InChI

InChI=1S/C26H29N3O/c1-18-5-3-6-21(13-18)24-15-27-19(2)28-26(24)23-7-4-11-29(17-23)16-20-8-9-25-22(14-20)10-12-30-25/h3,5-6,8-9,13-15,23H,4,7,10-12,16-17H2,1-2H3