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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]urea Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=CN3C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=CN3C

InChI

InChI=1S/C21H31N5O3/c1-24-10-12-26(13-11-24)18(17-6-5-9-25(17)2)15-22-21(27)23-16-7-8-19(28-3)20(14-16)29-4/h5-9,14,18H,10-13,15H2,1-4H3,(H2,22,23,27)