4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(o-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(2-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-N-(o-tolyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)OC)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)OC)C)C

InChI

InChI=1S/C27H33N5O2/c1-19-8-5-6-9-25(19)30-27(33)32-15-7-14-31(16-17-32)26-24(20(2)28-21(3)29-26)18-22-10-12-23(34-4)13-11-22/h5-6,8-13H,7,14-18H2,1-4H3,(H,30,33)