tert-butyl N-[(3S)-1-(3-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-(3-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-(3-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-3-yl]carbamate CAS Name: N-[(3S)-1-(3-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-(3-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-3-yl]carbamate Traditional Name: N-[(3S)-1-(3-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C3=C(N2)C=CC=N3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCN(C1)C2=C(C3=C(N2)C=CC=N3)C#N

InChI

InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)20-11-6-8-22(10-11)15-12(9-18)14-13(21-15)5-4-7-19-14/h4-5,7,11,21H,6,8,10H2,1-3H3,(H,20,23)/t11-/m0/s1