tert-butyl 4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[4-[3-(1-azepanyl)propoxy]phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCN3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCN3CCCCCC3

InChI

InChI=1S/C24H37N3O4/c1-24(2,3)31-23(29)26-16-17-27(22(28)19-26)20-9-11-21(12-10-20)30-18-8-15-25-13-6-4-5-7-14-25/h9-12H,4-8,13-19H2,1-3H3