N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide

Systemtic Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]-4-methyl-benzamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCCCOC)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCCCOC)C3=CC=CC=C32

InChI

InChI=1S/C23H22N4O3/c1-15-8-10-16(11-9-15)22(28)27-21-18-7-4-3-6-17(18)20(26-21)19(14-24)23(29)25-12-5-13-30-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,25,29)(H,26,27,28)