5-[3-(2-azanylethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-ethyl-4,4-dimethyl-pyrazol-3-one

Systemtic Name: 5-[3-(2-azanylethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-ethyl-4,4-dimethyl-pyrazol-3-one Openeye Name: 5-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-ethyl-4,4-dimethyl-pyrazol-3-one CAS Name: 5-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-ethyl-4,4-dimethyl-3-pyrazolone IUPAC Name: 5-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-ethyl-4,4-dimethylpyrazol-3-one Traditional Name: 5-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-ethyl-4,4-dimethyl-2-pyrazolin-3-one Formula: C25H30N4O MolecularWeight: 402.5319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=N1)C2=CC3=C(C=C2)NC(=C3CCN)C4=CC(=CC(=C4)C)C)(C)C

Isomeric SMILES

CCN1C(=O)C(C(=N1)C2=CC3=C(C=C2)NC(=C3CCN)C4=CC(=CC(=C4)C)C)(C)C

InChI

InChI=1S/C25H30N4O/c1-6-29-24(30)25(4,5)23(28-29)17-7-8-21-20(14-17)19(9-10-26)22(27-21)18-12-15(2)11-16(3)13-18/h7-8,11-14,27H,6,9-10,26H2,1-5H3