4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-[(3-fluorophenyl)methyl]-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-(3-fluorobenzyl)phthalazine-1-carboxamide Formula: C27H25ClFN5O2 MolecularWeight: 505.971103

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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(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClFN5O2/c1-36-24-10-9-19(28)16-23(24)33-11-13-34(14-12-33)26-22-8-3-2-7-21(22)25(31-32-26)27(35)30-17-18-5-4-6-20(29)15-18/h2-10,15-16H,11-14,17H2,1H3,(H,30,35)