4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N4O2/c1-19-16-25(26(33)18-30-15-14-22-10-8-9-11-23(22)17-30)20(2)31(19)27-21(3)29(4)32(28(27)34)24-12-6-5-7-13-24/h5-13,16H,14-15,17-18H2,1-4H3