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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H28BrFN4O3 MolecularWeight: 531.417223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrFN4O3/c26-18-4-1-3-17(15-18)25(34)31-14-2-13-30(24(33)16-5-7-19(27)8-6-16)23(31)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)