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

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

Isomeric SMILES

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

InChI

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