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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(4-ethoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]-3-p-phenetyl-urea Formula: C21H31N5O2 MolecularWeight: 385.50314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCN(CC3)C

InChI

InChI=1S/C21H31N5O2/c1-4-28-18-9-7-17(8-10-18)23-21(27)22-16-20(19-6-5-11-25(19)3)26-14-12-24(2)13-15-26/h5-11,20H,4,12-16H2,1-3H3,(H2,22,23,27)