N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C31H39FN4O3 MolecularWeight: 534.664763

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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)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C31H39FN4O3/c32-24-13-11-23(12-14-24)30(38)35-19-6-20-36(29(35)28(37)34-26-17-15-25(33)16-18-26)31(39)27(22-9-4-5-10-22)21-7-2-1-3-8-21/h1-3,7-8,11-14,22,25-27,29H,4-6,9-10,15-20,33H2,(H,34,37)