4-[2-[bromanyl(cyclopropyl)methoxy]-6-(propylaminomethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 4-[2-[bromanyl(cyclopropyl)methoxy]-6-(propylaminomethyl)phenyl]pyridazine-3-carboxylic acid Openeye Name: 4-[2-[bromo(cyclopropyl)methoxy]-6-(propylaminomethyl)phenyl]pyridazine-3-carboxylic acid CAS Name: 4-[2-[bromo(cyclopropyl)methoxy]-6-(propylaminomethyl)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 4-[2-[bromo(cyclopropyl)methoxy]-6-(propylaminomethyl)phenyl]pyridazine-3-carboxylic acid Traditional Name: 4-[2-[bromo(cyclopropyl)methoxy]-6-(propylaminomethyl)phenyl]pyridazine-3-carboxylic acid Formula: C19H22BrN3O3 MolecularWeight: 420.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C(C(=CC=C1)OC(C2CC2)Br)C3=C(N=NC=C3)C(=O)O

Isomeric SMILES

CCCNCC1=C(C(=CC=C1)OC(C2CC2)Br)C3=C(N=NC=C3)C(=O)O

InChI

InChI=1S/C19H22BrN3O3/c1-2-9-21-11-13-4-3-5-15(26-18(20)12-6-7-12)16(13)14-8-10-22-23-17(14)19(24)25/h3-5,8,10,12,18,21H,2,6-7,9,11H2,1H3,(H,24,25)