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

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]urea Formula: C23H35N5O2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCN(CC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCN(CC3)C

InChI

InChI=1S/C23H35N5O2/c1-4-5-17-30-20-10-8-19(9-11-20)25-23(29)24-18-22(21-7-6-12-27(21)3)28-15-13-26(2)14-16-28/h6-12,22H,4-5,13-18H2,1-3H3,(H2,24,25,29)