N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)acryloyl]isonipecotamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4/c1-19-16-22(20(2)31(19)24-6-4-3-5-7-24)8-11-27(32)30-14-12-21(13-15-30)28(33)29-23-9-10-25-26(17-23)35-18-34-25/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,33)/b11-8+