methyl (3R)-2-[3-[(4-chloranylpyrazol-1-yl)methoxy]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[3-[(4-chloranylpyrazol-1-yl)methoxy]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[3-[(4-chloropyrazol-1-yl)methoxy]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[[3-[(4-chloro-1-pyrazolyl)methoxy]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[3-[(4-chloropyrazol-1-yl)methoxy]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[3-[(4-chloropyrazol-1-yl)methoxy]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)OCN4C=C(C=N4)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)OCN4C=C(C=N4)Cl

InChI

InChI=1S/C22H20ClN3O4/c1-29-22(28)20-10-15-5-2-3-6-17(15)12-26(20)21(27)16-7-4-8-19(9-16)30-14-25-13-18(23)11-24-25/h2-9,11,13,20H,10,12,14H2,1H3/t20-/m1/s1