N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-pyrrol-1-yl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-pyrrol-1-yl-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-pyrrolyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-methyl-3-pyrrol-1-ylbenzamide Traditional Name: 4-methyl-N-[2-(piperonylcarbamoyl)phenyl]-3-pyrrol-1-yl-benzamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)N5C=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)N5C=CC=C5

InChI

InChI=1S/C27H23N3O4/c1-18-8-10-20(15-23(18)30-12-4-5-13-30)26(31)29-22-7-3-2-6-21(22)27(32)28-16-19-9-11-24-25(14-19)34-17-33-24/h2-15H,16-17H2,1H3,(H,28,32)(H,29,31)