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

Systemtic Name: N-(2-ethoxyphenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethoxyphenyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethoxyphenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC=C3OCC)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC=C3OCC)CC4=CC=C(C=C4)C

InChI

InChI=1S/C29H37N5O2/c1-5-25-24(20-23-14-12-21(3)13-15-23)28(31-22(4)30-25)33-16-9-17-34(19-18-33)29(35)32-26-10-7-8-11-27(26)36-6-2/h7-8,10-15H,5-6,9,16-20H2,1-4H3,(H,32,35)