N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-[3-keto-3-(piperonylamino)propyl]-5-methyl-pyrazinamide Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O4/c1-16-11-27-20(13-26-16)24(31)29(14-17-2-5-19(25)6-3-17)9-8-23(30)28-12-18-4-7-21-22(10-18)33-15-32-21/h2-7,10-11,13H,8-9,12,14-15H2,1H3,(H,28,30)