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

Systemtic Name: N-(2-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-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-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-(2-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-o-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=CC=C3OCC)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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