tert-butyl carbamate; 1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: tert-butyl carbamate; 1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethanone Openeye Name: tert-butyl carbamate; 1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethanone CAS Name: carbamic acid tert-butyl ester; 1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: tert-butyl carbamate; 1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethanone Traditional Name: carbamic acid tert-butyl ester; 1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethanone Formula: C21H35N3O3 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CCCC2=CC=CC=C2.CC(C)(C)OC(=O)N

Isomeric SMILES

CC(=O)N1CCCN(CC1)CCCC2=CC=CC=C2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C16H24N2O.C5H11NO2/c1-15(19)18-12-6-11-17(13-14-18)10-5-9-16-7-3-2-4-8-16;1-5(2,3)8-4(6)7/h2-4,7-8H,5-6,9-14H2,1H3;1-3H3,(H2,6,7)