1-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]oxyethanol

Systemtic Name: 1-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]oxyethanol Openeye Name: 1-[[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-4-piperidyl]oxy]ethanol CAS Name: 1-[[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinyl]oxy]ethanol IUPAC Name: 1-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]oxyethanol Traditional Name: 1-[[1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]-4-piperidyl]oxy]ethanol Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(O)OC1CCN(CC1)C2=NN=C(C3=CC=CC=C32)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H27ClN4O3/c1-15(29)31-17-9-11-28(12-10-17)23-19-6-4-3-5-18(19)22(26-27-23)25-14-16-7-8-21(30-2)20(24)13-16/h3-8,13,15,17,29H,9-12,14H2,1-2H3,(H,25,26)