1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]urea Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CN4C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CN4C

InChI

InChI=1S/C20H27N5O3/c1-23-8-10-25(11-9-23)17(16-4-3-7-24(16)2)13-21-20(26)22-15-5-6-18-19(12-15)28-14-27-18/h3-7,12,17H,8-11,13-14H2,1-2H3,(H2,21,22,26)