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

Systemtic Name: tert-butyl 4-(6-phenylpyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-phenyl-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-phenyl-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-phenylpyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-phenyl-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)26-20(25)24-13-7-12-23(14-15-24)18-10-11-19(22-16-18)17-8-5-4-6-9-17/h4-6,8-11,16H,7,12-15H2,1-3H3