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

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-[3-(hydroxymethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-[3-(hydroxymethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-1-(3-methylolpiperidino)phthalazine-6-carbonitrile Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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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)N4CCCC(C4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCCC(C4)CO)Cl

InChI

InChI=1S/C24H26ClN5O2/c1-32-22-7-5-16(12-21(22)25)8-9-27-23-20-11-17(13-26)4-6-19(20)24(29-28-23)30-10-2-3-18(14-30)15-31/h4-7,11-12,18,31H,2-3,8-10,14-15H2,1H3,(H,27,28)