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

Systemtic Name: 2-methoxy-5-[[[4-(4-oxidanylpiperidin-1-yl)phthalazin-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 5-[[[4-(4-hydroxy-1-piperidyl)phthalazin-1-yl]amino]methyl]-2-methoxy-benzonitrile CAS Name: 5-[[[4-(4-hydroxy-1-piperidinyl)-1-phthalazinyl]amino]methyl]-2-methoxybenzonitrile IUPAC Name: 5-[[[4-(4-hydroxypiperidin-1-yl)phthalazin-1-yl]amino]methyl]-2-methoxybenzonitrile Traditional Name: 5-[[[4-(4-hydroxypiperidino)phthalazin-1-yl]amino]methyl]-2-methoxy-benzonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)O)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)O)C#N

InChI

InChI=1S/C22H23N5O2/c1-29-20-7-6-15(12-16(20)13-23)14-24-21-18-4-2-3-5-19(18)22(26-25-21)27-10-8-17(28)9-11-27/h2-7,12,17,28H,8-11,14H2,1H3,(H,24,25)