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

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid pyridazin-4-yl ester Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2CC3=C(CN2C(=O)OC4=CN=NC=C4)C=CC(=C3)Cl)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2CC3=C(CN2C(=O)OC4=CN=NC=C4)C=CC(=C3)Cl)C5CC5

InChI

InChI=1S/C24H22ClN3O3/c1-15-3-2-4-21(16-5-6-16)23(15)31-22-12-18-11-19(25)8-7-17(18)14-28(22)24(29)30-20-9-10-26-27-13-20/h2-4,7-11,13,16,22H,5-6,12,14H2,1H3