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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-bromopyridine-3-carbonyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-bromonicotinoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30BrN5O3 MolecularWeight: 528.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C25H30BrN5O3/c1-16-3-5-17(6-4-16)24(33)30-11-2-12-31(25(34)18-13-19(26)15-28-14-18)23(30)22(32)29-21-9-7-20(27)8-10-21/h3-6,13-15,20-21,23H,2,7-12,27H2,1H3,(H,29,32)