tert-butyl 4-[(4-aminocarbonylphenyl)amino]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-aminocarbonylphenyl)amino]azepane-1-carboxylate Openeye Name: tert-butyl 4-(4-carbamoylanilino)azepane-1-carboxylate CAS Name: 4-(4-carbamoylanilino)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-carbamoylanilino)azepane-1-carboxylate Traditional Name: 4-(4-carbamoylanilino)azepane-1-carboxylic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-11-4-5-14(10-12-21)20-15-8-6-13(7-9-15)16(19)22/h6-9,14,20H,4-5,10-12H2,1-3H3,(H2,19,22)