4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-methyl-4-oxidanyl-piperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(4-methyl-4-oxidanyl-piperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(4-hydroxy-4-methyl-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-hydroxy-4-methyl-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(4-hydroxy-4-methylpiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(4-hydroxy-4-methyl-piperidino)phthalazine-6-carbonitrile Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N)O

Isomeric SMILES

CC1(CCN(CC1)C2=CC(=CC3=C(N=NC=C23)NCC4=CC(=C(C=C4)OC)Cl)C#N)O

InChI

InChI=1S/C23H24ClN5O2/c1-23(30)5-7-29(8-6-23)20-11-16(12-25)9-17-18(20)14-27-28-22(17)26-13-15-3-4-21(31-2)19(24)10-15/h3-4,9-11,14,30H,5-8,13H2,1-2H3,(H,26,28)