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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N-(pyridin-4-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(3-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=C2)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=NC=C5

InChI

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