2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCC5=CC=CC=C5C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCC5=CC=CC=C5C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3/c1-16-20-8-4-5-9-21(20)24(29)27(25-16)23-14-19(10-11-22(23)28(30)31)26-13-12-17-6-2-3-7-18(17)15-26/h2-11,14H,12-13,15H2,1H3