(8aS)-6-azanyl-2-methyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol

Systemtic Name: (8aS)-6-azanyl-2-methyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: (8aS)-6-amino-2-methyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: (8aS)-6-amino-2-methyl-8-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: (8aS)-6-amino-2-methyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: (8aS)-6-amino-2-methyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

CCO.CN1CC=C2[C@@H](C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C18H16N6.C2H6O/c1-24-6-4-13-14(7-19)17(22)18(10-20,11-21)16(15(13)9-24)12-3-2-5-23-8-12;1-2-3/h2-5,8,15-16H,6,9,22H2,1H3;3H,2H2,1H3/t15-,16?;/m1./s1