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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN5O3/c1-17-3-5-18(6-4-17)25(34)31-15-2-16-32(26(35)30-22-11-7-19(27)8-12-22)24(31)23(33)29-21-13-9-20(28)10-14-21/h3-8,11-12,20-21,24H,2,9-10,13-16,28H2,1H3,(H,29,33)(H,30,35)