tert-butyl 4-[(4-aminocarbonyl-2-chloranyl-phenyl)amino]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-aminocarbonyl-2-chloranyl-phenyl)amino]azepane-1-carboxylate Openeye Name: tert-butyl 4-(4-carbamoyl-2-chloro-anilino)azepane-1-carboxylate CAS Name: 4-(4-carbamoyl-2-chloroanilino)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-carbamoyl-2-chloroanilino)azepane-1-carboxylate Traditional Name: 4-(4-carbamoyl-2-chloro-anilino)azepane-1-carboxylic acid tert-butyl ester Formula: C18H26ClN3O3 MolecularWeight: 367.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)NC2=C(C=C(C=C2)C(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)NC2=C(C=C(C=C2)C(=O)N)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)22-9-4-5-13(8-10-22)21-15-7-6-12(16(20)23)11-14(15)19/h6-7,11,13,21H,4-5,8-10H2,1-3H3,(H2,20,23)