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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]nicotinamide Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O/c28-22(18-8-6-12-23-16-18)24-19-9-5-7-17(15-19)20-10-11-21(26-25-20)27-13-3-1-2-4-14-27/h5-12,15-16H,1-4,13-14H2,(H,24,28)