(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(pyridin-2-ylmethylamino)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(pyridin-2-ylmethylamino)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-pyridylmethylamino)chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-pyridinylmethylamino)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(pyridin-2-ylmethylamino)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-pyridylmethylamino)chroman-6-carbonitrile Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NCC3=CC=CC=N3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NCC3=CC=CC=N3)O)C

InChI

InChI=1S/C18H19N3O2/c1-18(2)17(22)16(21-11-13-5-3-4-8-20-13)14-9-12(10-19)6-7-15(14)23-18/h3-9,16-17,21-22H,11H2,1-2H3/t16-,17+/m0/s1