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

Systemtic Name: 8-(4-bromophenyl)carbonyl-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one Openeye Name: 8-(4-bromobenzoyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one CAS Name: 8-[(4-bromophenyl)-oxomethyl]-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one IUPAC Name: 8-(4-bromobenzoyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one Traditional Name: 8-(4-bromobenzoyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one Formula: C21H20BrN3O3 MolecularWeight: 442.3058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3(CCN(CC3)C(=O)C4=CC=C(C=C4)Br)NC2=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3(CCN(CC3)C(=O)C4=CC=C(C=C4)Br)NC2=O

InChI

InChI=1S/C21H20BrN3O3/c1-28-17-4-2-3-15(13-17)18-19(26)24-21(23-18)9-11-25(12-10-21)20(27)14-5-7-16(22)8-6-14/h2-8,13H,9-12H2,1H3,(H,24,26)