tert-butyl N-[3-oxidanylidene-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]propyl]carbamate CAS Name: N-[3-oxo-3-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]propyl]carbamate Traditional Name: N-[3-keto-3-[(6-pyrrolidino-3-pyridyl)methylamino]propyl]carbamic acid tert-butyl ester Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NCC1=CN=C(C=C1)N2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NCC1=CN=C(C=C1)N2CCCC2

InChI

InChI=1S/C18H28N4O3/c1-18(2,3)25-17(24)19-9-8-16(23)21-13-14-6-7-15(20-12-14)22-10-4-5-11-22/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,19,24)(H,21,23)