N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-keto-1H-pyridazine-3-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C21H22N6O2/c28-20-11-9-18(24-26-20)21(29)22-16-7-5-6-15(14-16)17-8-10-19(25-23-17)27-12-3-1-2-4-13-27/h5-11,14H,1-4,12-13H2,(H,22,29)(H,26,28)