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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1'-phenyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-oxo-1'-phenyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4-oxo-1'-phenyl-1'-spiro[1H-quinazoline-2,4'-cyclohexane]carbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-oxo-1'-phenylspiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-keto-1'-phenyl-spiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1(C#N)C3=CC=CC=C3)NC4=CC=CC=C4C(=O)N2C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC2(CCC1(C#N)C3=CC=CC=C3)NC4=CC=CC=C4C(=O)N2C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N3O3/c28-17-26(19-6-2-1-3-7-19)12-14-27(15-13-26)29-22-9-5-4-8-21(22)25(31)30(27)20-10-11-23-24(16-20)33-18-32-23/h1-11,16,29H,12-15,18H2