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

Systemtic Name: 3-(4-bromophenyl)-8-(3-methylphenyl)carbonyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one Openeye Name: 3-(4-bromophenyl)-8-(3-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one CAS Name: 3-(4-bromophenyl)-8-[(3-methylphenyl)-oxomethyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one IUPAC Name: 3-(4-bromophenyl)-8-(3-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one Traditional Name: 3-(4-bromophenyl)-8-m-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(=C1)C(=O)N2CCC3(CC2)NC(=O)C(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC3(CC2)NC(=O)C(=N3)C4=CC=C(C=C4)Br

InChI

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