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

Systemtic Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-N-p-phenetyl-1,4-diazepane-1-carboxamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)C)C)C

InChI

InChI=1S/C28H35N5O2/c1-5-35-25-13-11-24(12-14-25)31-28(34)33-16-6-15-32(17-18-33)27-26(21(3)29-22(4)30-27)19-23-9-7-20(2)8-10-23/h7-14H,5-6,15-19H2,1-4H3,(H,31,34)