[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-17(23(28)25-12-11-19-7-5-6-8-20(19)16-25)29-22(27)13-18-14-24-26(15-18)21-9-3-2-4-10-21/h2-10,14-15,17H,11-13,16H2,1H3