4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-[4-(hydroxymethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(hydroxymethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-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=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)CO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)CO)C#N)Cl

InChI

InChI=1S/C23H24ClN5O2/c1-31-22-3-2-16(9-20(22)24)12-26-23-18-8-17(11-25)10-21(19(18)13-27-28-23)29-6-4-15(14-30)5-7-29/h2-3,8-10,13,15,30H,4-7,12,14H2,1H3,(H,26,28)