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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxo-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(6-oxo-4-phenyl-1-pyrimidinyl)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-keto-4-phenyl-pyrimidin-1-yl)acetamide Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C=NC(=CC4=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C=NC(=CC4=O)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2/c35-27(19-34-20-29-25(18-28(34)36)21-9-4-3-5-10-21)30-23-12-8-11-22(17-23)24-13-14-26(32-31-24)33-15-6-1-2-7-16-33/h3-5,8-14,17-18,20H,1-2,6-7,15-16,19H2,(H,30,35)