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

Systemtic Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3-chlorobenzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxamide Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H27ClN2O3/c1-3-4-8-20-24(18-9-10-21-22(14-18)31-12-11-30-21)23(25(27)29)16(2)28(20)15-17-6-5-7-19(26)13-17/h5-7,9-10,13-14H,3-4,8,11-12,15H2,1-2H3,(H2,27,29)