3-[[8-(4-bromanyl-3-methyl-phenyl)carbonyl-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[8-(4-bromanyl-3-methyl-phenyl)carbonyl-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[8-(4-bromo-3-methyl-benzoyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile CAS Name: 3-[[8-[(4-bromo-3-methylphenyl)-oxomethyl]-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile IUPAC Name: 3-[[8-(4-bromo-3-methylbenzoyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile Traditional Name: 3-[[8-(4-bromo-3-methyl-benzoyl)-3-keto-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile Formula: C23H22BrN3O3 MolecularWeight: 468.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)CN(C(=O)O3)CC4=CC=CC(=C4)C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)CN(C(=O)O3)CC4=CC=CC(=C4)C#N)Br

InChI

InChI=1S/C23H22BrN3O3/c1-16-11-19(5-6-20(16)24)21(28)26-9-7-23(8-10-26)15-27(22(29)30-23)14-18-4-2-3-17(12-18)13-25/h2-6,11-12H,7-10,14-15H2,1H3