N-cyclohexyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-cyclohexyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-cyclohexyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-cyclohexyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-cyclohexyl-4-[4-(4-fluorophenyl)piperazino]phthalazine-1-carboxamide Formula: C25H28FN5O MolecularWeight: 433.521123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H28FN5O/c26-18-10-12-20(13-11-18)30-14-16-31(17-15-30)24-22-9-5-4-8-21(22)23(28-29-24)25(32)27-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-17H2,(H,27,32)