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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-chlorophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-chlorobenzoyl)-3-(3-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(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClFN4O3/c26-18-7-5-16(6-8-18)24(33)30-13-2-14-31(25(34)17-3-1-4-19(27)15-17)23(30)22(32)29-21-11-9-20(28)10-12-21/h1,3-8,15,20-21,23H,2,9-14,28H2,(H,29,32)