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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,4-diethoxybenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxybenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-diethoxy-benzamide Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OCC

InChI

InChI=1S/C27H32N4O3/c1-3-33-24-14-12-21(19-25(24)34-4-2)27(32)28-22-11-9-10-20(18-22)23-13-15-26(30-29-23)31-16-7-5-6-8-17-31/h9-15,18-19H,3-8,16-17H2,1-2H3,(H,28,32)