6-azanyl-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol

Systemtic Name: 6-azanyl-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: 6-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: 6-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: 6-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: 6-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)OCC)OCC.CCO

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)OCC)OCC.CCO

InChI

InChI=1S/C25H29N5O2.C2H6O/c1-4-10-30-11-9-18-20(13-26)24(29)25(15-27,16-28)23(21(18)14-30)19-8-7-17(31-5-2)12-22(19)32-6-3;1-2-3/h7-9,12,21,23H,4-6,10-11,14,29H2,1-3H3;3H,2H2,1H3