N2-(4-azanylcyclohexyl)-N1-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(4-methoxyphenyl)-3-(3-phenylpropanoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-methoxyphenyl)-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-hydrocinnamoyl-N-(4-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C28H37N5O4 MolecularWeight: 507.62448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H37N5O4/c1-37-24-15-13-23(14-16-24)31-28(36)33-19-5-18-32(25(34)17-8-20-6-3-2-4-7-20)27(33)26(35)30-22-11-9-21(29)10-12-22/h2-4,6-7,13-16,21-22,27H,5,8-12,17-19,29H2,1H3,(H,30,35)(H,31,36)