tert-butyl 2-azanyl-4,8-bis(4-chlorophenyl)-3-cyano-5,7-dihydro-4H-pyrano[3,2-c]azepine-6-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4,8-bis(4-chlorophenyl)-3-cyano-5,7-dihydro-4H-pyrano[3,2-c]azepine-6-carboxylate Openeye Name: tert-butyl 2-amino-4,8-bis(4-chlorophenyl)-3-cyano-5,7-dihydro-4H-pyrano[3,2-c]azepine-6-carboxylate CAS Name: 2-amino-4,8-bis(4-chlorophenyl)-3-cyano-5,7-dihydro-4H-pyrano[3,2-c]azepine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4,8-bis(4-chlorophenyl)-3-cyano-5,7-dihydro-4H-pyrano[3,2-c]azepine-6-carboxylate Traditional Name: 2-amino-4,8-bis(4-chlorophenyl)-3-cyano-5,7-dihydro-4H-pyran[3,2-c]azepine-6-carboxylic acid tert-butyl ester Formula: C27H25Cl2N3O3 MolecularWeight: 510.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=CC2=C(C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=CC2=C(C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25Cl2N3O3/c1-27(2,3)35-26(33)32-14-18(16-4-8-19(28)9-5-16)12-23-22(15-32)24(21(13-30)25(31)34-23)17-6-10-20(29)11-7-17/h4-12,24H,14-15,31H2,1-3H3