1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]isonipecotamide Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C(=O)N5CCC(CC5)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C(=O)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C25H25N3O4/c1-16-20(25(30)27-11-9-18(10-12-27)24(26)29)14-21(17-5-3-2-4-6-17)28(16)19-7-8-22-23(13-19)32-15-31-22/h2-8,13-14,18H,9-12,15H2,1H3,(H2,26,29)