[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H21N3O3/c26-21(25-14-3-6-18-5-1-2-7-20(18)25)16-28-22(27)19-10-8-17(9-11-19)15-24-13-4-12-23-24/h1-2,4-5,7-13H,3,6,14-16H2