(8S,8aR)-6-azanyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aR)-6-azanyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile Openeye Name: (8S,8aR)-6-amino-8-(3-pyridyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile CAS Name: (8S,8aR)-6-amino-8-(3-pyridinyl)-1,3,8,8a-tetrahydro-2-benzopyran-5,7,7-tricarbonitrile IUPAC Name: (8S,8aR)-6-amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile Traditional Name: (8S,8aR)-6-amino-8-(3-pyridyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile Formula: C17H13N5O MolecularWeight: 303.31802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CO1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

C1C=C2[C@H](CO1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C17H13N5O/c18-6-13-12-3-5-23-8-14(12)15(11-2-1-4-22-7-11)17(9-19,10-20)16(13)21/h1-4,7,14-15H,5,8,21H2/t14-,15+/m0/s1