4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-(2-pyridyl)ethyl]phthalazine-1-carboxamide CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-N-[2-(2-pyridinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-N-[2-(2-pyridyl)ethyl]phthalazine-1-carboxamide Formula: C27H28N6O2 MolecularWeight: 468.55022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=N5

InChI

InChI=1S/C27H28N6O2/c1-35-22-11-9-21(10-12-22)32-16-18-33(19-17-32)26-24-8-3-2-7-23(24)25(30-31-26)27(34)29-15-13-20-6-4-5-14-28-20/h2-12,14H,13,15-19H2,1H3,(H,29,34)