N-(3-methylbutyl)-6-[4-(2-nitrophenyl)carbonylpiperazin-1-yl]pyridazine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-6-[4-(2-nitrophenyl)carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-isopentyl-6-[4-(2-nitrobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(3-methylbutyl)-6-[4-[(2-nitrophenyl)-oxomethyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(3-methylbutyl)-6-[4-(2-nitrobenzoyl)piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-isoamyl-6-[4-(2-nitrobenzoyl)piperazino]pyridazine-3-carboxamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4/c1-15(2)9-10-22-20(28)17-7-8-19(24-23-17)25-11-13-26(14-12-25)21(29)16-5-3-4-6-18(16)27(30)31/h3-8,15H,9-14H2,1-2H3,(H,22,28)