N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-methylphenyl)ethanamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-methylphenyl)ethanamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(m-tolyl)acetamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(3-methylphenyl)acetamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-methylphenyl)acetamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(m-tolyl)acetamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O/c1-19-7-6-8-20(17-19)18-25(30)26-22-11-9-21(10-12-22)23-13-14-24(28-27-23)29-15-4-2-3-5-16-29/h6-14,17H,2-5,15-16,18H2,1H3,(H,26,30)