1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine

Systemtic Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine Openeye Name: 1-[3-methyl-4-(m-tolyl)piperazin-1-yl]-4-(4-pyridylmethyl)phthalazine CAS Name: 1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-4-(pyridin-4-ylmethyl)phthalazine IUPAC Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine Traditional Name: 1-[3-methyl-4-(m-tolyl)piperazino]-4-(4-pyridylmethyl)phthalazine Formula: C26H27N5 MolecularWeight: 409.52608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

InChI

InChI=1S/C26H27N5/c1-19-6-5-7-22(16-19)31-15-14-30(18-20(31)2)26-24-9-4-3-8-23(24)25(28-29-26)17-21-10-12-27-13-11-21/h3-13,16,20H,14-15,17-18H2,1-2H3