1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-N-phenyl-isonipecotamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCC(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCC(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4/c1-18-14-23(19(2)30(18)22-8-9-25-26(15-22)34-17-33-25)24(31)16-29-12-10-20(11-13-29)27(32)28-21-6-4-3-5-7-21/h3-9,14-15,20H,10-13,16-17H2,1-2H3,(H,28,32)