ethyl (3S)-2-[2-[3-(diphenylcarbamoyl)-5-methyl-pyrazol-1-yl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3S)-2-[2-[3-(diphenylcarbamoyl)-5-methyl-pyrazol-1-yl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[2-[3-(diphenylcarbamoyl)-5-methyl-pyrazol-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[2-[5-methyl-3-[oxo-(N-phenylanilino)methyl]-1-pyrazolyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[2-[3-(diphenylcarbamoyl)-5-methylpyrazol-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-[3-(diphenylcarbamoyl)-5-methyl-pyrazol-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C36H32N4O4 MolecularWeight: 584.66368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=CC=C3N4C(=CC(=N4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)C3=CC=CC=C3N4C(=CC(=N4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C36H32N4O4/c1-3-44-36(43)33-23-26-14-10-11-15-27(26)24-38(33)34(41)30-20-12-13-21-32(30)40-25(2)22-31(37-40)35(42)39(28-16-6-4-7-17-28)29-18-8-5-9-19-29/h4-22,33H,3,23-24H2,1-2H3/t33-/m0/s1