N-(4-azanylcyclohexyl)-1-(4-chlorophenyl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-chlorophenyl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H28ClFN4O3 MolecularWeight: 486.966223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClFN4O3/c26-18-6-2-16(3-7-18)24(33)30-14-1-15-31(25(34)17-4-8-19(27)9-5-17)23(30)22(32)29-21-12-10-20(28)11-13-21/h2-9,20-21,23H,1,10-15,28H2,(H,29,32)