N-[[7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[[7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[[7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[[7-(4,6-dimethyl-2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[[7-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[[7-(4,6-dimethylpyrimidin-2-yl)coumaran-2-yl]methyl]-4-(4-methylpiperazino)benzamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)C

InChI

InChI=1S/C27H31N5O2/c1-18-15-19(2)30-26(29-18)24-6-4-5-21-16-23(34-25(21)24)17-28-27(33)20-7-9-22(10-8-20)32-13-11-31(3)12-14-32/h4-10,15,23H,11-14,16-17H2,1-3H3,(H,28,33)