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

Systemtic Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-(4-ethylphenyl)urea Openeye Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-(4-ethylphenyl)urea CAS Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-(4-ethylphenyl)urea IUPAC Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(4-ethylphenyl)urea Traditional Name: 1-(4-ethylphenyl)-3-[2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]urea Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c1-4-19-5-8-21(9-6-19)27-26(32)28-24(18(2)3)25(31)30-13-11-29(12-14-30)16-20-7-10-22-23(15-20)34-17-33-22/h5-10,15,18,24H,4,11-14,16-17H2,1-3H3,(H2,27,28,32)