1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-1-(3-chlorobenzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxamide Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H29ClN2O3/c1-3-4-5-9-21-25(19-10-11-22-23(15-19)32-13-12-31-22)24(26(28)30)17(2)29(21)16-18-7-6-8-20(27)14-18/h6-8,10-11,14-15H,3-5,9,12-13,16H2,1-2H3,(H2,28,30)