4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N-(4-methoxyphenyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-N-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C26H24ClN5O2 MolecularWeight: 473.95406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H24ClN5O2/c1-34-21-11-9-19(10-12-21)28-26(33)24-22-7-2-3-8-23(22)25(30-29-24)32-15-13-31(14-16-32)20-6-4-5-18(27)17-20/h2-12,17H,13-16H2,1H3,(H,28,33)