6-azanyl-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide

Systemtic Name: 6-azanyl-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide Openeye Name: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide CAS Name: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide IUPAC Name: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide Traditional Name: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)N

InChI

InChI=1S/C20H18N6O2/c1-28-13-4-2-3-12(7-13)17-16-9-26(19(25)27)6-5-14(16)15(8-21)18(24)20(17,10-22)11-23/h2-5,7,16-17H,6,9,24H2,1H3,(H2,25,27)