4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(1H-imidazol-2-ylmethyl)-4-oxidanyl-piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(1H-imidazol-2-ylmethyl)-4-oxidanyl-piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-hydroxy-4-(1H-imidazol-2-ylmethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-hydroxy-4-(1H-imidazol-2-ylmethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-hydroxy-4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-hydroxy-4-(1H-imidazol-2-ylmethyl)piperidino]phthalazine-6-carbonitrile Formula: C26H26ClN7O2 MolecularWeight: 503.98334

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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)N4CCC(CC4)(CC5=NC=CN5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)(CC5=NC=CN5)O)Cl

InChI

InChI=1S/C26H26ClN7O2/c1-36-22-5-3-18(13-21(22)27)16-31-24-20-12-17(15-28)2-4-19(20)25(33-32-24)34-10-6-26(35,7-11-34)14-23-29-8-9-30-23/h2-5,8-9,12-13,35H,6-7,10-11,14,16H2,1H3,(H,29,30)(H,31,32)