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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN5O3/c1-17-6-10-22(11-7-17)30-26(35)32-15-3-14-31(25(34)18-4-2-5-19(27)16-18)24(32)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)