N-(1,3-benzodioxol-5-yl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]isonipecotamide Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H27N3O4/c1-17-3-4-18(2)29(17)22-8-5-20(6-9-22)26(31)28-13-11-19(12-14-28)25(30)27-21-7-10-23-24(15-21)33-16-32-23/h3-10,15,19H,11-14,16H2,1-2H3,(H,27,30)