tert-butyl N-[3-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(benzofuran-2-carbonyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(27)22-9-8-18(25)23-10-12-24(13-11-23)19(26)17-14-15-6-4-5-7-16(15)28-17/h4-7,14H,8-13H2,1-3H3,(H,22,27)