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

Systemtic Name: N-(3,4-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-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3,4-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-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3,4-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(=C(C=C3)C)C)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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