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

Systemtic Name: 6-azanyl-8-(2-ethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-ethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-ethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-ethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-methyl-8-o-phenetyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C

Isomeric SMILES

CCOC1=CC=CC=C1C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C

InChI

InChI=1S/C21H21N5O/c1-3-27-18-7-5-4-6-15(18)19-17-11-26(2)9-8-14(17)16(10-22)20(25)21(19,12-23)13-24/h4-8,17,19H,3,9,11,25H2,1-2H3