N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-nitro-2-furamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c27-21(18-9-11-20(30-18)26(28)29)22-16-7-5-6-15(14-16)17-8-10-19(24-23-17)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13H2,(H,22,27)