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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(2-hydroxyethyl)-1-piperazinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(2-hydroxyethyl)piperazin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[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=NN=C(C3=C2C=C(C=C3)C#N)N4CCN(CC4)CCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCN(CC4)CCO)Cl

InChI

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