1-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)piperazin-1-yl]-4-(phenylmethyl)phthalazine

Systemtic Name: 1-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)piperazin-1-yl]-4-(phenylmethyl)phthalazine Openeye Name: 1-benzyl-4-[4-(5-chloro-3-fluoro-2-pyridyl)piperazin-1-yl]phthalazine CAS Name: 1-[4-(5-chloro-3-fluoro-2-pyridinyl)-1-piperazinyl]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-[4-(5-chloro-3-fluoropyridin-2-yl)piperazin-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-(5-chloro-3-fluoro-2-pyridyl)piperazino]phthalazine Formula: C24H21ClFN5 MolecularWeight: 433.908443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=C(C=C5F)Cl

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)C5=NC=C(C=C5F)Cl

InChI

InChI=1S/C24H21ClFN5/c25-18-15-21(26)24(27-16-18)31-12-10-30(11-13-31)23-20-9-5-4-8-19(20)22(28-29-23)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2