N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethyl-benzamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethyl-benzamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-ethyl-benzamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethylbenzamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethylbenzamide Traditional Name: 4-ethyl-N-[2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]benzamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O4/c1-4-19-5-8-21(9-6-19)25(30)27-24(18(2)3)26(31)29-13-11-28(12-14-29)16-20-7-10-22-23(15-20)33-17-32-22/h5-10,15,18,24H,4,11-14,16-17H2,1-3H3,(H,27,30)