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

Systemtic Name: N-cyclohexyl-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-cyclohexyl-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-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-cyclohexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Formula: C26H37N5O MolecularWeight: 435.60488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H37N5O/c1-3-24-23(19-21-11-6-4-7-12-21)25(28-20(2)27-24)30-15-10-16-31(18-17-30)26(32)29-22-13-8-5-9-14-22/h4,6-7,11-12,22H,3,5,8-10,13-19H2,1-2H3,(H,29,32)