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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-hydroxy-4-(hydroxymethyl)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-hydroxy-4-methylol-piperidino)phthalazine-6-carbonitrile Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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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)(CO)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O3/c1-32-20-5-3-16(11-19(20)24)13-26-21-18-10-15(12-25)2-4-17(18)22(28-27-21)29-8-6-23(31,14-30)7-9-29/h2-5,10-11,30-31H,6-9,13-14H2,1H3,(H,26,27)