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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3-fluorophenyl)carbonyl-N1-(3-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(3-fluorobenzoyl)-N1-(3-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-[(3-fluorophenyl)-oxomethyl]-N1-(3-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3-fluorobenzoyl)-1-N-(3-methoxyphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(3-fluorobenzoyl)-N-(3-methoxyphenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C26H32FN5O4 MolecularWeight: 497.561783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN5O4/c1-36-22-8-3-7-21(16-22)30-26(35)32-14-4-13-31(25(34)17-5-2-6-18(27)15-17)24(32)23(33)29-20-11-9-19(28)10-12-20/h2-3,5-8,15-16,19-20,24H,4,9-14,28H2,1H3,(H,29,33)(H,30,35)