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

Systemtic Name: 2-[4-[4-[(phenylmethyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(benzylamino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-[(phenylmethyl)amino]-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(benzylamino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(benzylamino)phthalazin-1-yl]phenoxy]-1-piperidino-ethanone Formula: C28H28N4O2 MolecularWeight: 452.54752

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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)NCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NN=C(C4=CC=CC=C43)NCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-26(32-17-7-2-8-18-32)20-34-23-15-13-22(14-16-23)27-24-11-5-6-12-25(24)28(31-30-27)29-19-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-20H2,(H,29,31)