tert-butyl 4-[5-[(E)-prop-1-enoxy]pyridin-3-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(E)-prop-1-enoxy]pyridin-3-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[5-[(E)-prop-1-enoxy]-3-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-[(E)-prop-1-enoxy]-3-pyridinyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(E)-prop-1-enoxy]pyridin-3-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-[(E)-prop-1-enoxy]-3-pyridyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC1=CN=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/OC1=CN=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N3O3/c1-5-11-23-16-12-15(13-19-14-16)20-7-6-8-21(10-9-20)17(22)24-18(2,3)4/h5,11-14H,6-10H2,1-4H3/b11-5+