tert-butyl 4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(3-chloro-4-methyl-phenyl)carbamoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(3-chloro-4-methylanilino)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-chloro-4-methylphenyl)carbamoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(3-chloro-4-methyl-phenyl)carbamoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H26ClN3O3 MolecularWeight: 367.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)Cl

InChI

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