N-[2-(azepan-1-yl)ethyl]-1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C22H30BrN5OS MolecularWeight: 492.4755

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C22H30BrN5OS/c23-20-7-6-19(30-20)18-5-8-21(26-25-18)28-14-9-17(10-15-28)22(29)24-11-16-27-12-3-1-2-4-13-27/h5-8,17H,1-4,9-16H2,(H,24,29)