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

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-(4-cyanopiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-(4-cyano-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-(4-cyano-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-(4-cyanopiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-(4-cyanopiperidino)phthalazine-6-carbonitrile Formula: C24H23ClN6O MolecularWeight: 446.93202

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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)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN6O/c1-32-22-5-3-16(13-21(22)25)6-9-28-23-20-12-18(15-27)2-4-19(20)24(30-29-23)31-10-7-17(14-26)8-11-31/h2-5,12-13,17H,6-11H2,1H3,(H,28,29)