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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-keto-1H-pyridine-3-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c28-21-11-8-17(15-23-21)22(29)24-18-7-5-6-16(14-18)19-9-10-20(26-25-19)27-12-3-1-2-4-13-27/h5-11,14-15H,1-4,12-13H2,(H,23,28)(H,24,29)