3-(2,2-dimethyloxan-4-yl)-1-prop-2-ynylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-1-prop-2-ynylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-1-prop-2-ynylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-1-(prop-2-ynylthio)-4-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-1-prop-2-ynylsulfanylspiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-1-(propargylthio)spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)C(=N2)SCC#C)C

Isomeric SMILES

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)C(=N2)SCC#C)C

InChI

InChI=1S/C27H32N2O2S/c1-4-16-32-24-22-21-11-7-6-10-19(21)17-27(13-8-5-9-14-27)23(22)25(30)29(28-24)20-12-15-31-26(2,3)18-20/h1,6-7,10-11,20H,5,8-9,12-18H2,2-3H3