N-butyl-5-methyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazine-2-carboxamide

Systemtic Name: N-butyl-5-methyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazine-2-carboxamide Openeye Name: N-butyl-5-methyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-butyl-5-methyl-N-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-2-pyrazinecarboxamide IUPAC Name: N-butyl-5-methyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-butyl-N-[3-keto-3-[4-(4-nitrophenyl)piperazino]propyl]-5-methyl-pyrazinamide Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCCCN(CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C23H30N6O4/c1-3-4-10-28(23(31)21-17-24-18(2)16-25-21)11-9-22(30)27-14-12-26(13-15-27)19-5-7-20(8-6-19)29(32)33/h5-8,16-17H,3-4,9-15H2,1-2H3