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

Systemtic Name: 2-[4-[4-[(3-methylphenyl)amino]phthalazin-1-yl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(3-methylanilino)phthalazin-1-yl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[4-(3-methylanilino)-1-phthalazinyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(3-methylanilino)phthalazin-1-yl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(m-toluidino)phthalazin-1-yl]phenoxy]-1-piperidino-ethanone Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC(=O)N5CCCCC5

InChI

InChI=1S/C28H28N4O2/c1-20-8-7-9-22(18-20)29-28-25-11-4-3-10-24(25)27(30-31-28)21-12-14-23(15-13-21)34-19-26(33)32-16-5-2-6-17-32/h3-4,7-15,18H,2,5-6,16-17,19H2,1H3,(H,29,31)