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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide Traditional Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]acetamide Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O3/c26-20-10-8-18(9-11-20)22-12-13-24(32)30(28-22)17-23(31)27-21-7-5-6-19(16-21)25(33)29-14-3-1-2-4-15-29/h5-13,16H,1-4,14-15,17H2,(H,27,31)