2-methyl-3-[(1S,3S,7E)-8-oxidanylidene-1-phenyl-7-(phenylmethylidene)-2-azaspiro[2.5]octan-2-yl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[(1S,3S,7E)-8-oxidanylidene-1-phenyl-7-(phenylmethylidene)-2-azaspiro[2.5]octan-2-yl]quinazolin-4-one Openeye Name: 3-[(1S,3S,7E)-7-benzylidene-8-oxo-1-phenyl-2-azaspiro[2.5]octan-2-yl]-2-methyl-quinazolin-4-one CAS Name: 2-methyl-3-[(1S,3S,7E)-8-oxo-1-phenyl-7-(phenylmethylene)-2-azaspiro[2.5]octan-2-yl]-4-quinazolinone IUPAC Name: 3-[(1S,3S,7E)-7-benzylidene-8-oxo-1-phenyl-2-azaspiro[2.5]octan-2-yl]-2-methylquinazolin-4-one Traditional Name: 3-[(1S,3S,7E)-7-benzal-8-keto-1-phenyl-2-azaspiro[2.5]octan-2-yl]-2-methyl-quinazolin-4-one Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N3C(C34CCCC(=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N3[C@H]([C@]34CCC/C(=C\C5=CC=CC=C5)/C4=O)C6=CC=CC=C6

InChI

InChI=1S/C29H25N3O2/c1-20-30-25-17-9-8-16-24(25)28(34)31(20)32-26(22-13-6-3-7-14-22)29(32)18-10-15-23(27(29)33)19-21-11-4-2-5-12-21/h2-9,11-14,16-17,19,26H,10,15,18H2,1H3/b23-19+/t26-,29-,32?/m0/s1