3-(4-bromophenyl)-8-(2-methylphenyl)carbonyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one

Systemtic Name: 3-(4-bromophenyl)-8-(2-methylphenyl)carbonyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one Openeye Name: 3-(4-bromophenyl)-8-(2-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one CAS Name: 3-(4-bromophenyl)-8-[(2-methylphenyl)-oxomethyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one IUPAC Name: 3-(4-bromophenyl)-8-(2-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one Traditional Name: 3-(4-bromophenyl)-8-o-toluoyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC3(CC2)NC(=O)C(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC3(CC2)NC(=O)C(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O2/c1-14-4-2-3-5-17(14)20(27)25-12-10-21(11-13-25)23-18(19(26)24-21)15-6-8-16(22)9-7-15/h2-9H,10-13H2,1H3,(H,24,26)