tert-butyl N-[2-[3-(cyanomethyl)-1H-indol-2-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-(cyanomethyl)-1H-indol-2-yl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[3-(cyanomethyl)-1H-indol-2-yl]phenyl]carbamate CAS Name: N-[2-[3-(cyanomethyl)-1H-indol-2-yl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-(cyanomethyl)-1H-indol-2-yl]phenyl]carbamate Traditional Name: N-[2-[3-(cyanomethyl)-1H-indol-2-yl]phenyl]carbamic acid tert-butyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=C(C3=CC=CC=C3N2)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=C(C3=CC=CC=C3N2)CC#N

InChI

InChI=1S/C21H21N3O2/c1-21(2,3)26-20(25)24-18-11-7-5-9-16(18)19-15(12-13-22)14-8-4-6-10-17(14)23-19/h4-11,23H,12H2,1-3H3,(H,24,25)