1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-3-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-3-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c1-13-11-16(21(23)24)18-20(13)9-4-7-17(22)19-10-8-14-5-2-3-6-15(14)12-19/h2-3,5-6,11H,4,7-10,12H2,1H3