tert-butyl 4-(3-cyano-4,6-dimethyl-pyridin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyano-4,6-dimethyl-pyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-cyano-4,6-dimethyl-2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-cyano-4,6-dimethyl-2-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-cyano-4,6-dimethyl-2-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C18H26N4O2/c1-13-11-14(2)20-16(15(13)12-19)21-7-6-8-22(10-9-21)17(23)24-18(3,4)5/h11H,6-10H2,1-5H3