3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H24FN3O4 MolecularWeight: 437.463463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C24H24FN3O4/c25-17-12-10-16(11-13-17)14-27(18-6-2-1-3-7-18)21(29)15-28-23(30)20-9-5-4-8-19(20)22(26-28)24(31)32/h4-5,8-13,18H,1-3,6-7,14-15H2,(H,31,32)