2-(2-methoxyethyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-(2-methoxyethyl)-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-(2-methoxyethyl)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyridazin-3-one CAS Name: 2-(2-methoxyethyl)-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-pyridazinone IUPAC Name: 2-(2-methoxyethyl)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-(2-methoxyethyl)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyridazin-3-one Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5/c1-28-13-12-22-17(24)7-6-16(19-22)18(25)21-10-8-20(9-11-21)14-2-4-15(5-3-14)23(26)27/h2-7H,8-13H2,1H3