3-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O4/c26-21(8-6-15-5-7-19-20(13-15)29-14-28-19)24-11-9-16(10-12-24)25-18-4-2-1-3-17(18)23-22(25)27/h1-8,13,16H,9-12,14H2,(H,23,27)/b8-6+