methyl 2-(5-methyl-1-phenyl-pyrazol-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(5-methyl-1-phenyl-pyrazol-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(5-methyl-1-phenyl-pyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[(5-methyl-1-phenyl-3-pyrazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-methyl-1-phenylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(5-methyl-1-phenyl-pyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2)C(=O)N3CCC4=C(C=CC=C4C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2)C(=O)N3CCC4=C(C=CC=C4C3)C(=O)OC

InChI

InChI=1S/C22H21N3O3/c1-15-13-20(23-25(15)17-8-4-3-5-9-17)21(26)24-12-11-18-16(14-24)7-6-10-19(18)22(27)28-2/h3-10,13H,11-12,14H2,1-2H3