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

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-(4-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-(pyridin-4-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-(4-pyridylmethyl)phthalazine-1-carboxamide Formula: C26H25ClN6O2 MolecularWeight: 488.9687

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=NC=C5

InChI

InChI=1S/C26H25ClN6O2/c1-35-23-7-6-19(27)16-22(23)32-12-14-33(15-13-32)25-21-5-3-2-4-20(21)24(30-31-25)26(34)29-17-18-8-10-28-11-9-18/h2-11,16H,12-15,17H2,1H3,(H,29,34)