1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-thiophen-2-yl-phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-thiophen-2-yl-phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-(2-thienyl)phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-thiophen-2-yl-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-thiophen-2-ylphthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-(2-thienyl)phthalazin-1-yl]piperidin-4-ol Formula: C25H25ClN4OS MolecularWeight: 465.0102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C4=CC=CS4)N5CCC(CC5)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C4=CC=CS4)N5CCC(CC5)O)Cl

InChI

InChI=1S/C25H25ClN4OS/c1-16-4-5-17(13-22(16)26)15-27-24-21-14-18(23-3-2-12-32-23)6-7-20(21)25(29-28-24)30-10-8-19(31)9-11-30/h2-7,12-14,19,31H,8-11,15H2,1H3,(H,27,28)