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

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

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