tert-butyl 2-[(isoquinolin-6-ylamino)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(isoquinolin-6-ylamino)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(6-isoquinolylamino)methyl]pyrrolidine-1-carboxylate CAS Name: 2-[(6-isoquinolinylamino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(isoquinolin-6-ylamino)methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(6-isoquinolylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CNC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1CNC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-10-4-5-17(22)13-21-16-7-6-15-12-20-9-8-14(15)11-16/h6-9,11-12,17,21H,4-5,10,13H2,1-3H3