tert-butyl carbamate; 1-(4-phenethyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: tert-butyl carbamate; 1-(4-phenethyl-1,4-diazepan-1-yl)ethanone Openeye Name: tert-butyl carbamate; 1-(4-phenethyl-1,4-diazepan-1-yl)ethanone CAS Name: carbamic acid tert-butyl ester; 1-(4-phenethyl-1,4-diazepan-1-yl)ethanone IUPAC Name: tert-butyl carbamate; 1-(4-phenethyl-1,4-diazepan-1-yl)ethanone Traditional Name: carbamic acid tert-butyl ester; 1-(4-phenethyl-1,4-diazepan-1-yl)ethanone Formula: C20H33N3O3 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CCC2=CC=CC=C2.CC(C)(C)OC(=O)N

Isomeric SMILES

CC(=O)N1CCCN(CC1)CCC2=CC=CC=C2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C15H22N2O.C5H11NO2/c1-14(18)17-10-5-9-16(12-13-17)11-8-15-6-3-2-4-7-15;1-5(2,3)8-4(6)7/h2-4,6-7H,5,8-13H2,1H3;1-3H3,(H2,6,7)