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

Systemtic Name: methyl 6-azanyl-5,5,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: methyl 6-amino-5,5,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,5,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5,5,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,5,7-tricyano-8-(4-ethylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC

InChI

InChI=1S/C22H21N5O2/c1-3-14-4-6-15(7-5-14)19-16(10-23)20(26)22(12-24,13-25)18-8-9-27(11-17(18)19)21(28)29-2/h4-8,17,19H,3,9,11,26H2,1-2H3