N2-(4-azanylcyclohexyl)-N1-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(4-fluorophenyl)-3-(3-methylbenzoyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(4-fluorophenyl)-3-(3-methylbenzoyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(4-fluorophenyl)-3-m-toluoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C26H32FN5O3 MolecularWeight: 481.562383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN5O3/c1-17-4-2-5-18(16-17)25(34)31-14-3-15-32(26(35)30-22-10-6-19(27)7-11-22)24(31)23(33)29-21-12-8-20(28)9-13-21/h2,4-7,10-11,16,20-21,24H,3,8-9,12-15,28H2,1H3,(H,29,33)(H,30,35)