tert-butyl N-[(4-acetamidophenyl)methyl-(azepan-1-ylcarbonyl)amino]carbamate

Systemtic Name: tert-butyl N-[(4-acetamidophenyl)methyl-(azepan-1-ylcarbonyl)amino]carbamate Openeye Name: tert-butyl N-[(4-acetamidophenyl)methyl-(azepane-1-carbonyl)amino]carbamate CAS Name: N-[(4-acetamidophenyl)methyl-[1-azepanyl(oxo)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-acetamidophenyl)methyl-(azepane-1-carbonyl)amino]carbamate Traditional Name: N-[(4-acetamidobenzyl)-(azepane-1-carbonyl)amino]carbamic acid tert-butyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O4/c1-16(26)22-18-11-9-17(10-12-18)15-25(23-19(27)29-21(2,3)4)20(28)24-13-7-5-6-8-14-24/h9-12H,5-8,13-15H2,1-4H3,(H,22,26)(H,23,27)