4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(2-chlorophenyl)-1-piperazinyl]-N-(3-pyridinylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(2-chlorophenyl)piperazino]-N-(3-pyridylmethyl)phthalazine-1-carboxamide Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C25H23ClN6O/c26-21-9-3-4-10-22(21)31-12-14-32(15-13-31)24-20-8-2-1-7-19(20)23(29-30-24)25(33)28-17-18-6-5-11-27-16-18/h1-11,16H,12-15,17H2,(H,28,33)