3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1'-phenyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1'-phenyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1'-phenyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1'-phenyl-1'-spiro[1H-quinazoline-2,4'-cyclohexane]carbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1'-phenylspiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile Traditional Name: 4-keto-1'-phenyl-3-piperonyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1(C#N)C3=CC=CC=C3)NC4=CC=CC=C4C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC2(CCC1(C#N)C3=CC=CC=C3)NC4=CC=CC=C4C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H25N3O3/c29-18-27(21-6-2-1-3-7-21)12-14-28(15-13-27)30-23-9-5-4-8-22(23)26(32)31(28)17-20-10-11-24-25(16-20)34-19-33-24/h1-11,16,30H,12-15,17,19H2