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

Systemtic Name: N-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)piperazino]phthalazine-1-carboxamide Formula: C26H30FN5O MolecularWeight: 447.547703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN5O/c27-20-10-12-21(13-11-20)31-14-16-32(17-15-31)25-23-9-5-4-8-22(23)24(29-30-25)26(33)28-18-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-18H2,(H,28,33)