1-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]isonipecotamide Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C23H23ClN2O4/c24-19-12-17(13-20-22(19)30-15-29-20)6-7-21(27)26-10-8-18(9-11-26)23(28)25-14-16-4-2-1-3-5-16/h1-7,12-13,18H,8-11,14-15H2,(H,25,28)/b7-6+