4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-[4-(2-hydroxyethyl)piperazino]phthalazine-6-carbonitrile Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)CCO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)CCO)C#N)Cl

InChI

InChI=1S/C23H25ClN6O2/c1-32-22-3-2-16(11-20(22)24)14-26-23-18-10-17(13-25)12-21(19(18)15-27-28-23)30-6-4-29(5-7-30)8-9-31/h2-3,10-12,15,31H,4-9,14H2,1H3,(H,26,28)