tert-butyl N-[1-[2-[(3-cyanopyridin-2-yl)amino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[(3-cyanopyridin-2-yl)amino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[2-[(3-cyano-2-pyridyl)amino]ethylamino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[(3-cyanopyridin-2-yl)amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[2-[(3-cyano-2-pyridyl)amino]ethylamino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCNC2=C(C=CC=N2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCNC2=C(C=CC=N2)C#N

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-18(14-16-8-5-4-6-9-16)20(28)26-13-12-25-19-17(15-23)10-7-11-24-19/h4-11,18H,12-14H2,1-3H3,(H,24,25)(H,26,28)(H,27,29)