4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-[4-(2-hydroxyethyloxy)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-[4-(2-hydroxyethyloxy)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-[4-(2-hydroxyethoxy)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-[4-(2-hydroxyethoxy)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-[4-(2-hydroxyethoxy)piperidino]phthalazine-6-carbonitrile Formula: C25H28ClN5O3 MolecularWeight: 481.97452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)OCCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)OCCO)Cl

InChI

InChI=1S/C25H28ClN5O3/c1-33-23-5-3-17(15-22(23)26)6-9-28-24-21-14-18(16-27)2-4-20(21)25(30-29-24)31-10-7-19(8-11-31)34-13-12-32/h2-5,14-15,19,32H,6-13H2,1H3,(H,28,29)