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

Systemtic Name: tert-butyl (2S)-2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]azetidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]azetidine-1-carboxylate CAS Name: (2S)-2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]azetidine-1-carboxylate Traditional Name: (2S)-2-[(1-amino-6-isoquinolyl)methylcarbamoyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC1C(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N

InChI

InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-9-7-15(23)17(24)22-11-12-4-5-14-13(10-12)6-8-21-16(14)20/h4-6,8,10,15H,7,9,11H2,1-3H3,(H2,20,21)(H,22,24)/t15-/m0/s1