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

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-2-(4-phenylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-2-(4-phenylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate CAS Name: 6-amino-5,7,7-tricyano-2-(4-phenylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-2-(4-phenylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-2-(4-phenylphenyl)-1,3,8,8a-tetrahydroisoquinoline-8-carboxylic acid ethyl ester Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N5O2/c1-2-34-26(33)24-23-15-32(20-10-8-19(9-11-20)18-6-4-3-5-7-18)13-12-21(23)22(14-28)25(31)27(24,16-29)17-30/h3-12,23-24H,2,13,15,31H2,1H3