4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-(4-methoxyphenyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C27H26ClN5O3 MolecularWeight: 503.98004

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=C(C=CC(=C5)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN5O3/c1-35-20-10-8-19(9-11-20)29-27(34)25-21-5-3-4-6-22(21)26(31-30-25)33-15-13-32(14-16-33)23-17-18(28)7-12-24(23)36-2/h3-12,17H,13-16H2,1-2H3,(H,29,34)