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

Systemtic Name: methyl 6-azanyl-5,5,7-tricyano-8-(4-ethoxy-3-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC)OC

InChI

InChI=1S/C23H23N5O4/c1-4-32-18-6-5-14(9-19(18)30-2)20-15(10-24)21(27)23(12-25,13-26)17-7-8-28(11-16(17)20)22(29)31-3/h5-7,9,16,20H,4,8,11,27H2,1-3H3