(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C18H21N5O3/c1-3-9-23-17(19-20-21-23)12-26-18(25)11-16-15-7-5-4-6-14(15)8-10-22(16)13(2)24/h4-8,10,16H,3,9,11-12H2,1-2H3