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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-ketoquinazolin-3-yl)acetamide Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H26N6O2/c33-25(17-32-18-27-23-11-4-3-10-21(23)26(32)34)28-20-9-7-8-19(16-20)22-12-13-24(30-29-22)31-14-5-1-2-6-15-31/h3-4,7-13,16,18H,1-2,5-6,14-15,17H2,(H,28,33)