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

Systemtic Name: N-(4-ethoxyphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-N-p-phenetyl-1,4-diazepane-1-carboxamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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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)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O3/c1-5-36-25-13-9-23(10-14-25)31-28(34)33-16-6-15-32(17-18-33)27-26(20(2)29-21(3)30-27)19-22-7-11-24(35-4)12-8-22/h7-14H,5-6,15-19H2,1-4H3,(H,31,34)