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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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