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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(imidazol-1-ylmethyl)-4-oxidanyl-piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-hydroxy-4-(imidazol-1-ylmethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-hydroxy-4-(1-imidazolylmethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-hydroxy-4-(imidazol-1-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)(CN5C=CN=C5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)(CN5C=CN=C5)O)Cl

InChI

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