methyl 2-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-16-20-13-22(32-24(20)28(26-16)14-17-8-4-3-5-9-17)23(29)27-15-19-11-7-6-10-18(19)12-21(27)25(30)31-2/h3-11,13,21H,12,14-15H2,1-2H3