tert-butyl 3-[(isoquinolin-5-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(isoquinolin-5-ylamino)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(5-isoquinolylamino)methyl]piperidine-1-carboxylate CAS Name: 3-[(5-isoquinolinylamino)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(isoquinolin-5-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 3-[(5-isoquinolylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)23-11-5-6-15(14-23)12-22-18-8-4-7-16-13-21-10-9-17(16)18/h4,7-10,13,15,22H,5-6,11-12,14H2,1-3H3