ethyl 6-azanyl-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OC

InChI

InChI=1S/C25H27N5O4/c1-4-10-34-20-7-6-16(11-21(20)32-3)22-19-13-30(24(31)33-5-2)9-8-17(19)18(12-26)23(29)25(22,14-27)15-28/h6-8,11,19,22H,4-5,9-10,13,29H2,1-3H3