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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O4/c1-18(2)7-11-28(23(31)21-17-24-9-10-25-21)12-8-22(30)27-15-13-26(14-16-27)19-3-5-20(6-4-19)29(32)33/h3-6,9-10,17-18H,7-8,11-16H2,1-2H3