tert-butyl 4-(6-pyrrolidin-1-ylpyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(6-pyrrolidin-1-ylpyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[6-(1-pyrrolidinyl)-3-pyridinyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-pyrrolidin-1-ylpyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-pyrrolidino-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H30N4O2 MolecularWeight: 346.4671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23-12-6-11-21(13-14-23)16-7-8-17(20-15-16)22-9-4-5-10-22/h7-8,15H,4-6,9-14H2,1-3H3