N-(3,5-dimethoxyphenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O3/c1-5-26-25(16-21-10-7-6-8-11-21)27(30-20(2)29-26)32-12-9-13-33(15-14-32)28(34)31-22-17-23(35-3)19-24(18-22)36-4/h6-8,10-11,17-19H,5,9,12-16H2,1-4H3,(H,31,34)