4-[[2-(1-cyanoethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=CC=C1NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CC(C#N)C1=CC=CC=C1NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C21H21N3O2/c1-13(11-22)15-6-4-5-7-17(15)24-19-16-10-14(12-23)8-9-18(16)26-21(2,3)20(19)25/h4-10,13,19-20,24-25H,1-3H3