N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c23-17(13-21-12-16(10-19-21)22(24)25)18-7-3-8-20-9-6-14-4-1-2-5-15(14)11-20/h1-2,4-5,10,12H,3,6-9,11,13H2,(H,18,23)