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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(hydroxymethyl)-4-methoxy-piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(hydroxymethyl)-4-methoxy-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(hydroxymethyl)-4-methoxy-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(hydroxymethyl)-4-methoxypiperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-methoxy-4-methylol-piperidino)phthalazine-6-carbonitrile Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O3/c1-32-21-6-4-17(12-20(21)25)14-27-22-19-11-16(13-26)3-5-18(19)23(29-28-22)30-9-7-24(15-31,33-2)8-10-30/h3-6,11-12,31H,7-10,14-15H2,1-2H3,(H,27,28)