2-bromanyl-5-methoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide Traditional Name: 2-bromo-5-methoxy-N-[3-(6-pyrrolidinopyridazin-3-yl)phenyl]benzamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H21BrN4O2/c1-29-17-7-8-19(23)18(14-17)22(28)24-16-6-4-5-15(13-16)20-9-10-21(26-25-20)27-11-2-3-12-27/h4-10,13-14H,2-3,11-12H2,1H3,(H,24,28)