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

Systemtic Name: 1-[6-bromanyl-4-[(3-chloranyl-4-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[6-bromo-4-[(3-chloro-4-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[6-bromo-4-[(3-chloro-4-methylphenyl)methylamino]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[6-bromo-4-[(3-chloro-4-methylphenyl)methylamino]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-bromo-4-[(3-chloro-4-methyl-benzyl)amino]phthalazin-1-yl]piperidin-4-ol Formula: C21H22BrClN4O MolecularWeight: 461.78258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Br)N4CCC(CC4)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)Br)N4CCC(CC4)O)Cl

InChI

InChI=1S/C21H22BrClN4O/c1-13-2-3-14(10-19(13)23)12-24-20-18-11-15(22)4-5-17(18)21(26-25-20)27-8-6-16(28)7-9-27/h2-5,10-11,16,28H,6-9,12H2,1H3,(H,24,25)