N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]quinoline-2-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]quinoline-2-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]quinoline-2-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-quinolinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]quinoline-2-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]quinaldamide Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H25N5O/c32-26(24-13-12-19-8-3-4-11-22(19)28-24)27-21-10-7-9-20(18-21)23-14-15-25(30-29-23)31-16-5-1-2-6-17-31/h3-4,7-15,18H,1-2,5-6,16-17H2,(H,27,32)