cyclohexyl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone

Systemtic Name: cyclohexyl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone Openeye Name: cyclohexyl-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]methanone CAS Name: cyclohexyl-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]methanone IUPAC Name: cyclohexyl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone Traditional Name: cyclohexyl-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]methanone Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C26H30N4O/c1-19-11-13-20(14-12-19)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)21-7-3-2-4-8-21/h5-6,9-14,21H,2-4,7-8,15-18H2,1H3