N-(3-chloranyl-4-methyl-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-12(2)8-9-24-20(26)16-7-5-14(10-17(16)21(24)27)19(25)23-15-6-4-13(3)18(22)11-15/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)