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

Systemtic Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-pentan-1-one Openeye Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-pentan-1-one CAS Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]-1-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-ylpentan-1-one Traditional Name: 5-[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazino]-1-pyrrolidino-pentan-1-one Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCCN2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CCCCN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H31N3O4/c27-22(25-11-3-4-12-25)5-1-2-10-24-13-15-26(16-14-24)23(28)9-7-19-6-8-20-21(17-19)30-18-29-20/h6-9,17H,1-5,10-16,18H2/b9-7+