4-[6-bromanyl-3-(cyclopropylmethoxy)-2-(ethylaminomethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 4-[6-bromanyl-3-(cyclopropylmethoxy)-2-(ethylaminomethyl)phenyl]pyridazine-3-carboxylic acid Openeye Name: 4-[6-bromo-3-(cyclopropylmethoxy)-2-(ethylaminomethyl)phenyl]pyridazine-3-carboxylic acid CAS Name: 4-[6-bromo-3-(cyclopropylmethoxy)-2-(ethylaminomethyl)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 4-[6-bromo-3-(cyclopropylmethoxy)-2-(ethylaminomethyl)phenyl]pyridazine-3-carboxylic acid Traditional Name: 4-[6-bromo-3-(cyclopropylmethoxy)-2-(ethylaminomethyl)phenyl]pyridazine-3-carboxylic acid Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1C2=C(N=NC=C2)C(=O)O)Br)OCC3CC3

Isomeric SMILES

CCNCC1=C(C=CC(=C1C2=C(N=NC=C2)C(=O)O)Br)OCC3CC3

InChI

InChI=1S/C18H20BrN3O3/c1-2-20-9-13-15(25-10-11-3-4-11)6-5-14(19)16(13)12-7-8-21-22-17(12)18(23)24/h5-8,11,20H,2-4,9-10H2,1H3,(H,23,24)