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

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

Click to see the large picture

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)CO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O3/c1-33-21-5-3-17(11-20(21)25)13-27-22-19-10-16(12-26)2-4-18(19)23(29-28-22)30-8-6-24(14-31,15-32)7-9-30/h2-5,10-11,31-32H,6-9,13-15H2,1H3,(H,27,28)