5-[[[7-isocyano-4-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]amino]methyl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 5-[[[7-isocyano-4-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]amino]methyl]-2-methoxy-benzenecarbonitrile Openeye Name: 5-[[[4-(4-hydroxy-1-piperidyl)-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methoxy-benzonitrile CAS Name: 5-[[[4-(4-hydroxy-1-piperidinyl)-7-isocyano-1-phthalazinyl]amino]methyl]-2-methoxybenzonitrile IUPAC Name: 5-[[[4-(4-hydroxypiperidin-1-yl)-7-isocyanophthalazin-1-yl]amino]methyl]-2-methoxybenzonitrile Traditional Name: 5-[[[4-(4-hydroxypiperidino)-7-isocyano-phthalazin-1-yl]amino]methyl]-2-methoxy-benzonitrile Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)C#N

InChI

InChI=1S/C23H22N6O2/c1-25-17-4-5-19-20(12-17)22(27-28-23(19)29-9-7-18(30)8-10-29)26-14-15-3-6-21(31-2)16(11-15)13-24/h3-6,11-12,18,30H,7-10,14H2,2H3,(H,26,27)