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

Systemtic Name: N-cyclohexyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-cyclohexyl-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-cyclohexyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-cyclohexyl-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C27H39N5O MolecularWeight: 449.63146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5O/c1-4-25-24(19-22-13-11-20(2)12-14-22)26(29-21(3)28-25)31-15-8-16-32(18-17-31)27(33)30-23-9-6-5-7-10-23/h11-14,23H,4-10,15-19H2,1-3H3,(H,30,33)