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

Systemtic Name: tert-butyl 4-[5-(3-aminophenyl)pyridin-3-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[5-(3-aminophenyl)-3-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-(3-aminophenyl)-3-pyridinyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(3-aminophenyl)pyridin-3-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-(3-aminophenyl)-3-pyridyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=CC(=C2)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=CC(=C2)C3=CC(=CC=C3)N

InChI

InChI=1S/C21H28N4O2/c1-21(2,3)27-20(26)25-9-5-8-24(10-11-25)19-13-17(14-23-15-19)16-6-4-7-18(22)12-16/h4,6-7,12-15H,5,8-11,22H2,1-3H3