ethyl 3-azanyl-1-(2-chlorophenyl)-2,4-dicyano-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(2-chlorophenyl)-2,4-dicyano-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Openeye Name: ethyl 3-amino-1-(2-chlorophenyl)-2,4-dicyano-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate CAS Name: 3-amino-1-(2-chlorophenyl)-2,4-dicyano-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(2-chlorophenyl)-2,4-dicyano-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate Traditional Name: 3-amino-1-(2-chlorophenyl)-2,4-dicyano-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylic acid ethyl ester Formula: C21H20ClN3O2 MolecularWeight: 381.8554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2CCCC=C2C(=C1N)C#N)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCOC(=O)C1(C(C2CCCC=C2C(=C1N)C#N)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H20ClN3O2/c1-2-27-20(26)21(12-24)18(15-9-5-6-10-17(15)22)14-8-4-3-7-13(14)16(11-23)19(21)25/h5-7,9-10,14,18H,2-4,8,25H2,1H3