N-[8-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,7-naphthyridin-6-yl]ethanamide

Systemtic Name: N-[8-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,7-naphthyridin-6-yl]ethanamide Openeye Name: N-[8-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide CAS Name: N-[8-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1,7-naphthyridin-6-yl]acetamide IUPAC Name: N-[8-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide Traditional Name: N-[8-[4-(4-nitrobenzoyl)piperazino]-1,7-naphthyridin-6-yl]acetamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C2C(=C1)C=CC=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=C2C(=C1)C=CC=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c1-14(28)23-18-13-16-3-2-8-22-19(16)20(24-18)25-9-11-26(12-10-25)21(29)15-4-6-17(7-5-15)27(30)31/h2-8,13H,9-12H2,1H3,(H,23,24,28)