[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate CAS Name: 3-(1,3-diphenyl-4-pyrazolyl)-2-propenoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1,3-diphenylpyrazol-4-yl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3/c33-27(31-18-17-22-9-7-8-12-24(22)19-31)21-35-28(34)16-15-25-20-32(26-13-5-2-6-14-26)30-29(25)23-10-3-1-4-11-23/h1-16,20H,17-19,21H2