methyl 2-[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[2-(3,5-dimethylpyrazol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-dimethylpyrazol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[2-(3,5-dimethylpyrazol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2C(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2C(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C23H23N3O3/c1-15-12-16(2)26(24-15)21-7-5-4-6-20(21)22(27)25-11-10-17-8-9-18(23(28)29-3)13-19(17)14-25/h4-9,12-13H,10-11,14H2,1-3H3