3-[3-(2-azanylethyl)-2,3-dihydro-1H-indol-5-yl]-1-(4-fluoranyl-2,5-dimethyl-phenyl)-1-piperazin-1-yl-propan-2-one

Systemtic Name: 3-[3-(2-azanylethyl)-2,3-dihydro-1H-indol-5-yl]-1-(4-fluoranyl-2,5-dimethyl-phenyl)-1-piperazin-1-yl-propan-2-one Openeye Name: 3-[3-(2-aminoethyl)indolin-5-yl]-1-(4-fluoro-2,5-dimethyl-phenyl)-1-piperazin-1-yl-propan-2-one CAS Name: 3-[3-(2-aminoethyl)-2,3-dihydro-1H-indol-5-yl]-1-(4-fluoro-2,5-dimethylphenyl)-1-(1-piperazinyl)-2-propanone IUPAC Name: 3-[3-(2-aminoethyl)-2,3-dihydro-1H-indol-5-yl]-1-(4-fluoro-2,5-dimethylphenyl)-1-piperazin-1-ylpropan-2-one Traditional Name: 3-[3-(2-aminoethyl)indolin-5-yl]-1-(4-fluoro-2,5-dimethyl-phenyl)-1-piperazino-acetone Formula: C25H33FN4O MolecularWeight: 424.554123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C(=O)CC2=CC3=C(C=C2)NCC3CCN)N4CCNCC4)C)F

Isomeric SMILES

CC1=CC(=C(C=C1C(C(=O)CC2=CC3=C(C=C2)NCC3CCN)N4CCNCC4)C)F

InChI

InChI=1S/C25H33FN4O/c1-16-12-22(26)17(2)11-20(16)25(30-9-7-28-8-10-30)24(31)14-18-3-4-23-21(13-18)19(5-6-27)15-29-23/h3-4,11-13,19,25,28-29H,5-10,14-15,27H2,1-2H3