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

Systemtic Name: 2-[4-[4-(naphthalen-2-ylamino)phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(2-naphthylamino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-(2-naphthalenylamino)-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(naphthalen-2-ylamino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(2-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=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NC5=CC6=CC=CC=C6C=C5

InChI

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