N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-3-nitro-benzamide Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H25N5O3/c1-17-20(7-6-8-22(17)29(31)32)24(30)25-19-11-9-18(10-12-19)21-13-14-23(27-26-21)28-15-4-2-3-5-16-28/h6-14H,2-5,15-16H2,1H3,(H,25,30)