N-(4-azanylcyclohexyl)-1-[2-(4-methoxyphenyl)ethanoyl]-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-[2-(4-methoxyphenyl)ethanoyl]-3-(3-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-[2-(4-methoxyphenyl)acetyl]-3-(3-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[2-(4-methoxyphenyl)-1-oxoethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-[2-(4-methoxyphenyl)acetyl]-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-[2-(4-methoxyphenyl)acetyl]-3-m-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H36N4O4/c1-19-5-3-6-21(17-19)28(35)32-16-4-15-31(25(33)18-20-7-13-24(36-2)14-8-20)27(32)26(34)30-23-11-9-22(29)10-12-23/h3,5-8,13-14,17,22-23,27H,4,9-12,15-16,18,29H2,1-2H3,(H,30,34)