N-(4-azanylcyclohexyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-bromonicotinoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C24H27BrFN5O3 MolecularWeight: 532.405283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrFN5O3/c25-17-11-16(13-28-14-17)24(34)31-10-2-9-30(23(33)15-3-1-4-18(26)12-15)22(31)21(32)29-20-7-5-19(27)6-8-20/h1,3-4,11-14,19-20,22H,2,5-10,27H2,(H,29,32)