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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(5-bromanylpyridin-3-yl)carbonyl-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methoxybenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(5-bromonicotinoyl)-3-m-anisoyl-hexahydropyrimidine-2-carboxamide Formula: C25H30BrN5O4 MolecularWeight: 544.4408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C25H30BrN5O4/c1-35-21-5-2-4-16(13-21)24(33)30-10-3-11-31(25(34)17-12-18(26)15-28-14-17)23(30)22(32)29-20-8-6-19(27)7-9-20/h2,4-5,12-15,19-20,23H,3,6-11,27H2,1H3,(H,29,32)