[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-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] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H25N3O3/c1-18-23(19(2)28(26-18)22-10-4-3-5-11-22)12-13-25(30)31-17-24(29)27-15-14-20-8-6-7-9-21(20)16-27/h3-13H,14-17H2,1-2H3/b13-12+