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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-bromophenyl)acryloyl]isonipecotamide Formula: C22H21BrN2O4 MolecularWeight: 457.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H21BrN2O4/c23-17-3-1-2-15(12-17)4-7-21(26)25-10-8-16(9-11-25)22(27)24-18-5-6-19-20(13-18)29-14-28-19/h1-7,12-13,16H,8-11,14H2,(H,24,27)/b7-4+