tert-butyl N-[3-[(6-imidazol-1-ylpyridin-3-yl)amino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(6-imidazol-1-ylpyridin-3-yl)amino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[(6-imidazol-1-yl-3-pyridyl)amino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[6-(1-imidazolyl)-3-pyridinyl]amino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(6-imidazol-1-ylpyridin-3-yl)amino]-3-oxopropyl]carbamate Traditional Name: N-[3-[(6-imidazol-1-yl-3-pyridyl)amino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC1=CN=C(C=C1)N2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NC1=CN=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C16H21N5O3/c1-16(2,3)24-15(23)18-7-6-14(22)20-12-4-5-13(19-10-12)21-9-8-17-11-21/h4-5,8-11H,6-7H2,1-3H3,(H,18,23)(H,20,22)