4-[[2-(cyanomethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[2-(cyanomethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[2-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[2-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[2-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[2-(cyanomethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC#N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC#N)O)C

InChI

InChI=1S/C20H19N3O2/c1-20(2)19(24)18(15-11-13(12-22)7-8-17(15)25-20)23-16-6-4-3-5-14(16)9-10-21/h3-8,11,18-19,23-24H,9H2,1-2H3