4-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(3-ethyl-3-methyl-4H-isoquinolin-1-yl)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=N1)C3=C(NN(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C(=N1)C3=C(NN(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H23N3O/c1-4-22(3)14-16-10-8-9-13-18(16)20(23-22)19-15(2)24-25(21(19)26)17-11-6-5-7-12-17/h5-13,24H,4,14H2,1-3H3