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

Systemtic Name: N-(4-ethoxyphenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-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:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2/c1-4-26-25(20-22-10-7-6-8-11-22)27(30-21(3)29-26)32-16-9-17-33(19-18-32)28(34)31-23-12-14-24(15-13-23)35-5-2/h6-8,10-15H,4-5,9,16-20H2,1-3H3,(H,31,34)