N-[(3Z)-3-[1-cyano-2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethylidene]-1-[4-(dibutylamino)-2-oxidanyl-phenyl]-2H-isoindol-1-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethylidene]-1-[4-(dibutylamino)-2-oxidanyl-phenyl]-2H-isoindol-1-yl]-2,2-dimethyl-propanamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(3,4-dichloroanilino)-2-oxo-ethylidene]-1-[4-(dibutylamino)-2-hydroxy-phenyl]isoindolin-1-yl]-2,2-dimethyl-propanamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3,4-dichloroanilino)-2-oxoethylidene]-1-[4-(dibutylamino)-2-hydroxyphenyl]-2H-isoindol-1-yl]-2,2-dimethylpropanamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3,4-dichloroanilino)-2-oxoethylidene]-1-[4-(dibutylamino)-2-hydroxyphenyl]-2H-isoindol-1-yl]-2,2-dimethylpropanamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(3,4-dichloroanilino)-2-keto-ethylidene]-1-[4-(dibutylamino)-2-hydroxy-phenyl]isoindolin-1-yl]-2,2-dimethyl-propionamide Formula: C36H41Cl2N5O3 MolecularWeight: 662.64844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=C(C#N)C(=O)NC4=CC(=C(C=C4)Cl)Cl)N2)NC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3/C(=C(\C#N)/C(=O)NC4=CC(=C(C=C4)Cl)Cl)/N2)NC(=O)C(C)(C)C)O

InChI

InChI=1S/C36H41Cl2N5O3/c1-6-8-18-43(19-9-7-2)24-15-16-28(31(44)21-24)36(42-34(46)35(3,4)5)27-13-11-10-12-25(27)32(41-36)26(22-39)33(45)40-23-14-17-29(37)30(38)20-23/h10-17,20-21,41,44H,6-9,18-19H2,1-5H3,(H,40,45)(H,42,46)/b32-26-