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

Systemtic Name: N-(2-methylpropyl)-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazine-2-carboxamide Openeye Name: N-isobutyl-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-(2-methylpropyl)-N-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-2-pyrazinecarboxamide IUPAC Name: N-(2-methylpropyl)-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4/c1-17(2)16-27(22(30)20-15-23-8-9-24-20)10-7-21(29)26-13-11-25(12-14-26)18-3-5-19(6-4-18)28(31)32/h3-6,8-9,15,17H,7,10-14,16H2,1-2H3