2,4-bis(bromanyl)butanoyl 3-methyl-1-(phenylmethyl)-1,2-diazinane-3-carboxylate

Systemtic Name: 2,4-bis(bromanyl)butanoyl 3-methyl-1-(phenylmethyl)-1,2-diazinane-3-carboxylate Openeye Name: 2,4-dibromobutanoyl 1-benzyl-3-methyl-hexahydropyridazine-3-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-3-diazinanecarboxylic acid (2,4-dibromo-1-oxobutyl) ester IUPAC Name: 2,4-dibromobutanoyl 1-benzyl-3-methyldiazinane-3-carboxylate Traditional Name: 1-benzyl-3-methyl-hexahydropyridazine-3-carboxylic acid 2,4-dibromobutanoyl ester Formula: C17H22Br2N2O3 MolecularWeight: 462.17618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(N1)CC2=CC=CC=C2)C(=O)OC(=O)C(CCBr)Br

Isomeric SMILES

CC1(CCCN(N1)CC2=CC=CC=C2)C(=O)OC(=O)C(CCBr)Br

InChI

InChI=1S/C17H22Br2N2O3/c1-17(16(23)24-15(22)14(19)8-10-18)9-5-11-21(20-17)12-13-6-3-2-4-7-13/h2-4,6-7,14,20H,5,8-12H2,1H3