2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-butyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: 2-[1-[4-(2-fluorophenyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-butyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C40H41FN4O2 MolecularWeight: 628.777543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2F)N3C(C4=CC=CC=C4C3=O)C5=C(N(C6=CC=CC=C65)C)C7=CC=C(C=C7)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2F)N3C(C4=CC=CC=C4C3=O)C5=C(N(C6=CC=CC=C65)C)C7=CC=C(C=C7)C

InChI

InChI=1S/C40H41FN4O2/c1-5-27(3)36(40(47)44-24-22-43(23-25-44)34-17-11-9-15-32(34)41)45-38(29-12-6-7-13-30(29)39(45)46)35-31-14-8-10-16-33(31)42(4)37(35)28-20-18-26(2)19-21-28/h6-21,27,36,38H,5,22-25H2,1-4H3