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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide Formula: C27H34N4O MolecularWeight: 430.58506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O/c32-26(27-16-19-12-20(17-27)14-21(13-19)18-27)28-23-7-5-6-22(15-23)24-8-9-25(30-29-24)31-10-3-1-2-4-11-31/h5-9,15,19-21H,1-4,10-14,16-18H2,(H,28,32)