N2-(4-azanylcyclohexyl)-N1-(3-fluorophenyl)-3-pyridin-4-ylcarbonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-fluorophenyl)-3-pyridin-4-ylcarbonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-fluorophenyl)-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-3-isonicotinoyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C24H29FN6O3 MolecularWeight: 468.523863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(C(N(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C24H29FN6O3/c25-17-3-1-4-20(15-17)29-24(34)31-14-2-13-30(23(33)16-9-11-27-12-10-16)22(31)21(32)28-19-7-5-18(26)6-8-19/h1,3-4,9-12,15,18-19,22H,2,5-8,13-14,26H2,(H,28,32)(H,29,34)