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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-methylolpiperidino)phthalazine-6-carbonitrile Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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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)N4CCCC(C4)CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCCC(C4)CO)Cl

InChI

InChI=1S/C23H24ClN5O2/c1-31-21-7-5-16(10-20(21)24)12-26-22-19-9-15(11-25)4-6-18(19)23(28-27-22)29-8-2-3-17(13-29)14-30/h4-7,9-10,17,30H,2-3,8,12-14H2,1H3,(H,26,27)