N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-methoxy-4-methyl-phenoxy)propanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-methoxy-4-methyl-phenoxy)propanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-methoxy-4-methyl-phenoxy)propanamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(2-methoxy-4-methylphenoxy)propanamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-methoxy-4-methylphenoxy)propanamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2-methoxy-4-methyl-phenoxy)propionamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C27H32N4O3/c1-19-11-13-24(25(17-19)33-3)34-20(2)27(32)28-22-10-8-9-21(18-22)23-12-14-26(30-29-23)31-15-6-4-5-7-16-31/h8-14,17-18,20H,4-7,15-16H2,1-3H3,(H,28,32)