4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyloxy)piperidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethyloxy)piperidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[4-(2-hydroxyethoxy)-1-piperidyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(2-hydroxyethoxy)-1-piperidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-(2-hydroxyethoxy)piperidino]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)OCCO)Cl

Isomeric SMILES

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

InChI

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