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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butan-1-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-13-18(22(24)25)14(2)21(19-13)10-5-8-17(23)20-11-9-15-6-3-4-7-16(15)12-20/h3-4,6-7H,5,8-12H2,1-2H3