2-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C17H16N6O2/c1-12-8-16(21-7-6-13-4-2-3-5-14(13)10-21)20-17(19-12)22-11-15(9-18-22)23(24)25/h2-5,8-9,11H,6-7,10H2,1H3