6-azanyl-2-methyl-8-(4-prop-2-enoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-methyl-8-(4-prop-2-enoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 8-(4-allyloxyphenyl)-6-amino-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2-methyl-8-(4-prop-2-enoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-methyl-8-(4-prop-2-enoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 8-(4-allyloxyphenyl)-6-amino-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C22H21N5O/c1-3-10-28-16-6-4-15(5-7-16)20-19-12-27(2)9-8-17(19)18(11-23)21(26)22(20,13-24)14-25/h3-8,19-20H,1,9-10,12,26H2,2H3