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

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O2/c1-4-25-24(18-21-10-6-5-7-11-21)26(29-20(2)28-25)31-14-9-15-32(17-16-31)27(33)30-22-12-8-13-23(19-22)34-3/h5-8,10-13,19H,4,9,14-18H2,1-3H3,(H,30,33)