1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-(4-ethoxyphenyl)urea

Systemtic Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-(4-ethoxyphenyl)urea Openeye Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-(4-ethoxyphenyl)urea CAS Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-(4-ethoxyphenyl)urea IUPAC Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(4-ethoxyphenyl)urea Traditional Name: 1-[2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]-3-p-phenetyl-urea Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H34N4O5/c1-4-33-21-8-6-20(7-9-21)27-26(32)28-24(18(2)3)25(31)30-13-11-29(12-14-30)16-19-5-10-22-23(15-19)35-17-34-22/h5-10,15,18,24H,4,11-14,16-17H2,1-3H3,(H2,27,28,32)