tert-butyl 4-[(isoquinolin-5-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(isoquinolin-5-ylamino)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-isoquinolylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(5-isoquinolinylamino)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(isoquinolin-5-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(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)N1CCC(CC1)CNC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=CC=CC3=C2C=CN=C3

InChI

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