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

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(2-chlorophenyl)-1-piperazinyl]-N-(pyridin-4-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(2-chlorophenyl)piperazino]-N-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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