4-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperazin-2-one

Systemtic Name: 4-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperazin-2-one Openeye Name: 4-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]piperazin-2-one CAS Name: 4-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]-2-piperazinone IUPAC Name: 4-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]piperazin-2-one Traditional Name: 4-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]piperazin-2-one Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=CC(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C/C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H21N3O4/c1-13-9-15(3-6-20(25)22-8-7-21-19(24)11-22)14(2)23(13)16-4-5-17-18(10-16)27-12-26-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,24)/b6-3+