4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide Openeye Name: 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]butanamide IUPAC Name: 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butyramide Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)NC(=O)C(C)N4C=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)NC(=O)C(C)N4C=CC=N4

InChI

InChI=1S/C25H25N5O4/c1-16-9-10-20-21(14-16)25(34)29(24(20)33)12-4-8-22(31)27-18-6-3-7-19(15-18)28-23(32)17(2)30-13-5-11-26-30/h3,5-7,9-11,13-15,17H,4,8,12H2,1-2H3,(H,27,31)(H,28,32)