N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-sec-butyl-phthalazine-1-carboxamide CAS Name: N-butan-2-yl-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-N-sec-butyl-phthalazine-1-carboxamide Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC(C)NC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H26FN5O/c1-3-16(2)25-23(30)21-17-8-4-5-9-18(17)22(27-26-21)29-14-12-28(13-15-29)20-11-7-6-10-19(20)24/h4-11,16H,3,12-15H2,1-2H3,(H,25,30)