4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[4-(2-hydroxyethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methylamino]-1-[4-(2-hydroxyethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-bromo-4-methoxy-benzyl)amino]-1-[4-(2-hydroxyethyl)piperidino]phthalazine-6-carbonitrile Formula: C24H26BrN5O2 MolecularWeight: 496.39954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)CCO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)CCO)Br

InChI

InChI=1S/C24H26BrN5O2/c1-32-22-5-3-18(13-21(22)25)15-27-23-20-12-17(14-26)2-4-19(20)24(29-28-23)30-9-6-16(7-10-30)8-11-31/h2-5,12-13,16,31H,6-11,15H2,1H3,(H,27,28)