tert-butyl N-[azepan-1-ylcarbonyl-[(3-cyanophenyl)methyl]amino]carbamate

Systemtic Name: tert-butyl N-[azepan-1-ylcarbonyl-[(3-cyanophenyl)methyl]amino]carbamate Openeye Name: tert-butyl N-[azepane-1-carbonyl-[(3-cyanophenyl)methyl]amino]carbamate CAS Name: N-[[1-azepanyl(oxo)methyl]-[(3-cyanophenyl)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[azepane-1-carbonyl-[(3-cyanophenyl)methyl]amino]carbamate Traditional Name: N-[azepane-1-carbonyl-(3-cyanobenzyl)amino]carbamic acid tert-butyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC=CC(=C1)C#N)C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC=CC(=C1)C#N)C(=O)N2CCCCCC2

InChI

InChI=1S/C20H28N4O3/c1-20(2,3)27-18(25)22-24(15-17-10-8-9-16(13-17)14-21)19(26)23-11-6-4-5-7-12-23/h8-10,13H,4-7,11-12,15H2,1-3H3,(H,22,25)