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

Systemtic Name: 5-azanyl-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Openeye Name: 5-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile CAS Name: 5-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile IUPAC Name: 5-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Traditional Name: 5-amino-8-(2,4-diethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=C(C=C(C=C3)OCC)OCC

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=C(C=C(C=C3)OCC)OCC

InChI

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