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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(3-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(=CC=C5)F

Isomeric SMILES

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

InChI

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