1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine

Systemtic Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine Openeye Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(4-pyridylmethyl)phthalazine CAS Name: 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-(pyridin-4-ylmethyl)phthalazine IUPAC Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-4-(4-pyridylmethyl)phthalazine Formula: C26H27N5 MolecularWeight: 409.52608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

InChI

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