4,5-bis(chloranyl)-2-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxymethyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxymethyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxymethyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxymethyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxymethyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxymethyl]pyridazin-3-one Formula: C25H33Cl2N3O3 MolecularWeight: 494.45382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NCCC2=C1C=CC(=C2OCN3C(=O)C(=C(C=N3)Cl)Cl)OC

Isomeric SMILES

CCCCCCCCCCC1=NCCC2=C1C=CC(=C2OCN3C(=O)C(=C(C=N3)Cl)Cl)OC

InChI

InChI=1S/C25H33Cl2N3O3/c1-3-4-5-6-7-8-9-10-11-21-18-12-13-22(32-2)24(19(18)14-15-28-21)33-17-30-25(31)23(27)20(26)16-29-30/h12-13,16H,3-11,14-15,17H2,1-2H3