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

Systemtic Name: methyl 2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)C(=O)OC

InChI

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