ethyl 3-azanyl-2,4-dicyano-1-phenyl-5,6,7,8,9,10-hexahydro-1H-benzo[8]annulene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-2,4-dicyano-1-phenyl-5,6,7,8,9,10-hexahydro-1H-benzo[8]annulene-2-carboxylate Openeye Name: ethyl 3-amino-2,4-dicyano-1-phenyl-5,6,7,8,9,10-hexahydro-1H-benzo[8]annulene-2-carboxylate CAS Name: 3-amino-2,4-dicyano-1-phenyl-5,6,7,8,9,10-hexahydro-1H-benzo[8]annulene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2,4-dicyano-1-phenyl-5,6,7,8,9,10-hexahydro-1H-benzo[8]annulene-2-carboxylate Traditional Name: 3-amino-2,4-dicyano-1-phenyl-5,6,7,8,9,10-hexahydro-1H-benzocyclooctene-2-carboxylic acid ethyl ester Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=C(CCCCCC2)C(=C1N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1(C(C2=C(CCCCCC2)C(=C1N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H25N3O2/c1-2-28-22(27)23(15-25)20(16-10-6-5-7-11-16)18-13-9-4-3-8-12-17(18)19(14-24)21(23)26/h5-7,10-11,20H,2-4,8-9,12-13,26H2,1H3