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

Systemtic Name: N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC(=C3C)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC(=C3C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O/c1-5-25-24(19-23-12-7-6-8-13-23)27(30-22(4)29-25)32-15-10-16-33(18-17-32)28(34)31-26-14-9-11-20(2)21(26)3/h6-9,11-14H,5,10,15-19H2,1-4H3,(H,31,34)