tert-butyl (2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)24-10-4-5-16(24)18(25)23-12-13-6-7-15-14(11-13)8-9-22-17(15)21/h6-9,11,16H,4-5,10,12H2,1-3H3,(H2,21,22)(H,23,25)/t16-/m0/s1