methyl 4-[(8S,8aS)-6-azanyl-5,5-dicyano-7,8a-dimethyl-2-propyl-3,8-dihydro-1H-isoquinolin-8-yl]benzoate

Systemtic Name: methyl 4-[(8S,8aS)-6-azanyl-5,5-dicyano-7,8a-dimethyl-2-propyl-3,8-dihydro-1H-isoquinolin-8-yl]benzoate Openeye Name: methyl 4-[(8S,8aS)-6-amino-5,5-dicyano-7,8a-dimethyl-2-propyl-3,8-dihydro-1H-isoquinolin-8-yl]benzoate CAS Name: 4-[(8S,8aS)-6-amino-5,5-dicyano-7,8a-dimethyl-2-propyl-3,8-dihydro-1H-isoquinolin-8-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(8S,8aS)-6-amino-5,5-dicyano-7,8a-dimethyl-2-propyl-3,8-dihydro-1H-isoquinolin-8-yl]benzoate Traditional Name: 4-[(8S,8aS)-6-amino-5,5-dicyano-7,8a-dimethyl-2-propyl-3,8-dihydro-1H-isoquinolin-8-yl]benzoic acid methyl ester Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)(C(C(=C(C2(C#N)C#N)N)C)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCN1CC=C2[C@@](C1)([C@@H](C(=C(C2(C#N)C#N)N)C)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H28N4O2/c1-5-11-28-12-10-19-23(3,15-28)20(16(2)21(27)24(19,13-25)14-26)17-6-8-18(9-7-17)22(29)30-4/h6-10,20H,5,11-12,15,27H2,1-4H3/t20-,23+/m0/s1