tert-butyl 3-[[1-(3-cyanophenyl)pyrrol-2-yl]methylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-(3-cyanophenyl)pyrrol-2-yl]methylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-(3-cyanophenyl)pyrrol-2-yl]methylamino]piperidine-1-carboxylate CAS Name: 3-[[1-(3-cyanophenyl)-2-pyrrolyl]methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(3-cyanophenyl)pyrrol-2-yl]methylamino]piperidine-1-carboxylate Traditional Name: 3-[[1-(3-cyanophenyl)pyrrol-2-yl]methylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NCC2=CC=CN2C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NCC2=CC=CN2C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H28N4O2/c1-22(2,3)28-21(27)25-11-5-8-18(16-25)24-15-20-10-6-12-26(20)19-9-4-7-17(13-19)14-23/h4,6-7,9-10,12-13,18,24H,5,8,11,15-16H2,1-3H3