N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-bromobenzamide Traditional Name: 4-bromo-N-[3-keto-3-(4-piperonylpiperazino)propyl]benzamide Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O4/c23-18-4-2-17(3-5-18)22(28)24-8-7-21(27)26-11-9-25(10-12-26)14-16-1-6-19-20(13-16)30-15-29-19/h1-6,13H,7-12,14-15H2,(H,24,28)