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

Systemtic Name: methyl 6-azanyl-5,5,7-tricyano-8-(3-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: methyl 6-amino-5,5,7-tricyano-8-(m-tolyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,5,7-tricyano-8-(3-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5,5,7-tricyano-8-(3-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,5,7-tricyano-8-(m-tolyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC

InChI

InChI=1S/C21H19N5O2/c1-13-4-3-5-14(8-13)18-15(9-22)19(25)21(11-23,12-24)17-6-7-26(10-16(17)18)20(27)28-2/h3-6,8,16,18H,7,10,25H2,1-2H3