N2-(4-azanylcyclohexyl)-3-(2-cyclopentyl-2-phenyl-ethanoyl)-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(2-cyclopentyl-2-phenyl-ethanoyl)-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-(2-cyclopentyl-2-phenyl-acetyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-(2-cyclopentyl-1-oxo-2-phenylethyl)-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(2-cyclopentyl-2-phenylacetyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-(2-cyclopentyl-2-phenyl-acetyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C31H40FN5O3 MolecularWeight: 549.679403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C31H40FN5O3/c32-23-12-6-13-26(20-23)35-31(40)37-19-7-18-36(29(37)28(38)34-25-16-14-24(33)15-17-25)30(39)27(22-10-4-5-11-22)21-8-2-1-3-9-21/h1-3,6,8-9,12-13,20,22,24-25,27,29H,4-5,7,10-11,14-19,33H2,(H,34,38)(H,35,40)