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

Systemtic Name: 4-[2-cyanoethyl(phenyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[N-(2-cyanoethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[N-(2-cyanoethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[N-(2-cyanoethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[N-(2-cyanoethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCC#N)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCC#N)C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H21N3O2/c1-21(2)20(25)19(17-13-15(14-23)9-10-18(17)26-21)24(12-6-11-22)16-7-4-3-5-8-16/h3-5,7-10,13,19-20,25H,6,12H2,1-2H3