N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[1-[(2-fluorophenyl)methyl]-3-piperidyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-[(2-fluorophenyl)methyl]-3-piperidinyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(2-fluorobenzyl)-3-piperidyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCN(C3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCCN(C3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O2/c1-26-22(29)18-10-4-3-9-17(18)20(25-26)21(28)24-16-8-6-12-27(14-16)13-15-7-2-5-11-19(15)23/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,24,28)