N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-triethoxy-benzamide Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C29H36N4O4/c1-4-35-25-19-22(20-26(36-5-2)28(25)37-6-3)29(34)30-23-13-11-12-21(18-23)24-14-15-27(32-31-24)33-16-9-7-8-10-17-33/h11-15,18-20H,4-10,16-17H2,1-3H3,(H,30,34)