2-[4-[4-(naphthalen-1-ylamino)phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(naphthalen-1-ylamino)phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(1-naphthylamino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-(1-naphthalenylamino)-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(naphthalen-1-ylamino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(1-naphthylamino)phthalazin-1-yl]phenoxy]-1-piperidino-ethanone Formula: C31H28N4O2 MolecularWeight: 488.57962

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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=CC6=CC=CC=C65

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H28N4O2/c36-29(35-19-6-1-7-20-35)21-37-24-17-15-23(16-18-24)30-26-12-4-5-13-27(26)31(34-33-30)32-28-14-8-10-22-9-2-3-11-25(22)28/h2-5,8-18H,1,6-7,19-21H2,(H,32,34)