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

Systemtic Name: methyl 2-[4-[(4-chloranylpyrazol-1-yl)methyl]thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-27-20(26)17-7-14-4-2-3-5-15(14)10-24(17)19(25)18-6-13(12-28-18)9-23-11-16(21)8-22-23/h2-6,8,11-12,17H,7,9-10H2,1H3