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

Systemtic Name: N-butyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazine-2-carboxamide Openeye Name: N-butyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-butyl-N-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-2-pyrazinecarboxamide IUPAC Name: N-butyl-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]pyrazinamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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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=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4/c1-2-3-11-27(22(30)20-17-23-9-10-24-20)12-8-21(29)26-15-13-25(14-16-26)18-4-6-19(7-5-18)28(31)32/h4-7,9-10,17H,2-3,8,11-16H2,1H3