6-azanyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C21H19N5O3/c1-26-4-3-13-14(7-22)20(25)21(9-23,10-24)18(15(13)8-26)12-5-16(27-2)19-17(6-12)28-11-29-19/h3,5-6,15,18H,4,8,11,25H2,1-2H3