1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-piperidin-1-yl-ethanone

Systemtic Name: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-piperidin-1-yl-ethanone Openeye Name: 2-(1-piperidyl)-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]-2-(1-piperidinyl)ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-piperidin-1-ylethanone Traditional Name: 2-piperidino-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]ethanone Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CN5CCCCC5

InChI

InChI=1S/C26H31N5O/c1-20-9-11-21(12-10-20)25-22-7-3-4-8-23(22)26(28-27-25)31-17-15-30(16-18-31)24(32)19-29-13-5-2-6-14-29/h3-4,7-12H,2,5-6,13-19H2,1H3