1-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-N-phenethyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-N-phenethyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-N-phenethyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-N-phenethyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-N-phenethylpyrrole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-N-phenethyl-pyrrole-3-carboxamide Formula: C27H23ClN2O3 MolecularWeight: 458.93612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H23ClN2O3/c1-18-23(27(31)29-14-13-19-5-3-2-4-6-19)16-24(20-7-9-21(28)10-8-20)30(18)22-11-12-25-26(15-22)33-17-32-25/h2-12,15-16H,13-14,17H2,1H3,(H,29,31)