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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4,5-trimethoxy-benzamide Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H30N4O4/c1-32-22-16-19(17-23(33-2)25(22)34-3)26(31)27-20-10-8-9-18(15-20)21-11-12-24(29-28-21)30-13-6-4-5-7-14-30/h8-12,15-17H,4-7,13-14H2,1-3H3,(H,27,31)