1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-methyl-2-(4-methyl-1-piperazinyl)butyl]urea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea Traditional Name: 1-homoveratryl-3-[3-methyl-2-(4-methylpiperazino)butyl]urea Formula: C21H36N4O3 MolecularWeight: 392.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NCCC1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C

Isomeric SMILES

CC(C)C(CNC(=O)NCCC1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C

InChI

InChI=1S/C21H36N4O3/c1-16(2)18(25-12-10-24(3)11-13-25)15-23-21(26)22-9-8-17-6-7-19(27-4)20(14-17)28-5/h6-7,14,16,18H,8-13,15H2,1-5H3,(H2,22,23,26)