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

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethyl-urea Openeye Name: 1-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethyl-urea CAS Name: 1-[2-(4-methyl-1-piperazinyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-phenethylurea IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethylurea Traditional Name: 1-[2-(4-methylpiperazino)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenethyl-urea Formula: C21H31N5O MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)NCCC2=CC=CC=C2)C3=CC=CN3C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)NCCC2=CC=CC=C2)C3=CC=CN3C

InChI

InChI=1S/C21H31N5O/c1-24-13-15-26(16-14-24)20(19-9-6-12-25(19)2)17-23-21(27)22-11-10-18-7-4-3-5-8-18/h3-9,12,20H,10-11,13-17H2,1-2H3,(H2,22,23,27)