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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-[4-(1-imidazolyl)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(4-imidazol-1-ylphenyl)acryloyl]isonipecotamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C25H24N4O4/c30-24(8-3-18-1-5-21(6-2-18)29-14-11-26-16-29)28-12-9-19(10-13-28)25(31)27-20-4-7-22-23(15-20)33-17-32-22/h1-8,11,14-16,19H,9-10,12-13,17H2,(H,27,31)/b8-3+