pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)isoquinoline-1-carboxylate

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)isoquinoline-1-carboxylate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)isoquinoline-1-carboxylate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1-isoquinolinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)isoquinoline-1-carboxylate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)isoquinoline-1-carboxylic acid pyridazin-4-yl ester Formula: C24H18ClN3O3 MolecularWeight: 431.87102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NC(=C3C=CC(=CC3=C2)Cl)C(=O)OC4=CN=NC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=NC(=C3C=CC(=CC3=C2)Cl)C(=O)OC4=CN=NC=C4)C5CC5

InChI

InChI=1S/C24H18ClN3O3/c1-14-3-2-4-20(15-5-6-15)23(14)31-21-12-16-11-17(25)7-8-19(16)22(28-21)24(29)30-18-9-10-26-27-13-18/h2-4,7-13,15H,5-6H2,1H3