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

Systemtic Name: 3-(1H-indol-3-yl)-2-[3-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one Openeye Name: 3-(1H-indol-3-yl)-2-[2-methyl-1-(4-methylpiperazine-1-carbonyl)butyl]isoindolin-1-one CAS Name: 3-(1H-indol-3-yl)-2-[3-methyl-1-(4-methyl-1-piperazinyl)-1-oxopentan-2-yl]-3H-isoindol-1-one IUPAC Name: 3-(1H-indol-3-yl)-2-[3-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one Traditional Name: 3-(1H-indol-3-yl)-2-[2-methyl-1-(4-methylpiperazine-1-carbonyl)butyl]isoindolin-1-one Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C)N2C(C3=CC=CC=C3C2=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C)N2C(C3=CC=CC=C3C2=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H32N4O2/c1-4-18(2)24(27(33)30-15-13-29(3)14-16-30)31-25(20-10-5-6-11-21(20)26(31)32)22-17-28-23-12-8-7-9-19(22)23/h5-12,17-18,24-25,28H,4,13-16H2,1-3H3