6-[1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,4,5-tris(chloranyl)pyridine-3-carbonitrile

Systemtic Name: 6-[1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,4,5-tris(chloranyl)pyridine-3-carbonitrile Openeye Name: 2,4,5-trichloro-6-[1-[(1,3-dioxoisoindolin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carbonitrile CAS Name: 2,4,5-trichloro-6-[1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinecarbonitrile IUPAC Name: 2,4,5-trichloro-6-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carbonitrile Traditional Name: 2,4,5-trichloro-6-[1-(phthalimidomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]nicotinonitrile Formula: C24H15Cl3N4O2 MolecularWeight: 497.7605

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=C(C(=C(C(=N5)Cl)C#N)Cl)Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=C(C(=C(C(=N5)Cl)C#N)Cl)Cl

InChI

InChI=1S/C24H15Cl3N4O2/c25-19-17(11-28)21(27)29-22(20(19)26)30-10-9-13-5-1-2-6-14(13)18(30)12-31-23(32)15-7-3-4-8-16(15)24(31)33/h1-8,18H,9-10,12H2