N-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[3-(4-acetyl-1-piperazinyl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[3-(4-acetylpiperazino)-3-keto-propyl]-N-(4-fluorobenzyl)-5-methyl-pyrazinamide Formula: C22H26FN5O3 MolecularWeight: 427.471943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CCN(CC2)C(=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN5O3/c1-16-13-25-20(14-24-16)22(31)28(15-18-3-5-19(23)6-4-18)8-7-21(30)27-11-9-26(10-12-27)17(2)29/h3-6,13-14H,7-12,15H2,1-2H3