tert-butyl 4-[4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-morpholino-3-oxo-propyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[3-(4-morpholinyl)-3-oxopropyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-keto-3-morpholino-propyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CCC(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CCC(=O)N3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)25-12-10-23(11-13-25)19-7-4-18(5-8-19)6-9-20(26)24-14-16-28-17-15-24/h4-5,7-8H,6,9-17H2,1-3H3