2-[4-[4-[(3-bromophenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3-bromophenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(3-bromoanilino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-(3-bromoanilino)-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(3-bromoanilino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(3-bromoanilino)phthalazin-1-yl]phenoxy]-1-piperidino-ethanone Formula: C27H25BrN4O2 MolecularWeight: 517.417

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C27H25BrN4O2/c28-20-7-6-8-21(17-20)29-27-24-10-3-2-9-23(24)26(30-31-27)19-11-13-22(14-12-19)34-18-25(33)32-15-4-1-5-16-32/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,29,31)