(3R,4S)-7-azanyl-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-7-azanyl-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carbonitrile CAS Name: (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carbonitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C(=C2)C#N)N)N3CCCC3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=C(C(=C2)C#N)N)N3CCCC3)O)C

InChI

InChI=1S/C16H21N3O2/c1-16(2)15(20)14(19-5-3-4-6-19)11-7-10(9-17)12(18)8-13(11)21-16/h7-8,14-15,20H,3-6,18H2,1-2H3/t14-,15+/m0/s1