N-butyl-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]pentanamide

Systemtic Name: N-butyl-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]pentanamide Openeye Name: N-butyl-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-isoindolin-2-yl]pentanamide CAS Name: N-butyl-4-methyl-2-[1-(1-methyl-3-indolyl)-3-oxo-1H-isoindol-2-yl]pentanamide IUPAC Name: N-butyl-4-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide Traditional Name: N-butyl-2-[1-keto-3-(1-methylindol-3-yl)isoindolin-2-yl]-4-methyl-valeramide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C)C)N1C(C2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCCCNC(=O)C(CC(C)C)N1C(C2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C27H33N3O2/c1-5-6-15-28-26(31)24(16-18(2)3)30-25(20-12-7-8-13-21(20)27(30)32)22-17-29(4)23-14-10-9-11-19(22)23/h7-14,17-18,24-25H,5-6,15-16H2,1-4H3,(H,28,31)