1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(3-methylbut-2-enoyl)-2-propyl-indole-6-carboxamide

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(3-methylbut-2-enoyl)-2-propyl-indole-6-carboxamide Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-methylbut-2-enoyl)-2-propyl-indole-6-carboxamide CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-methyl-1-oxobut-2-enyl)-2-propyl-6-indolecarboxamide IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-methylbut-2-enoyl)-2-propylindole-6-carboxamide Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(3-methylbut-2-enoyl)-2-propyl-indole-6-carboxamide Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=C(C=C2)C(=O)N)C(=O)C=C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=C(C=C2)C(=O)N)C(=O)C=C(C)C

InChI

InChI=1S/C25H25ClN2O4/c1-4-5-19-24(21(29)8-14(2)3)17-7-6-15(25(27)30)9-20(17)28(19)12-16-10-22-23(11-18(16)26)32-13-31-22/h6-11H,4-5,12-13H2,1-3H3,(H2,27,30)