1-[4-(dimethylaminomethyl)-1-(4-methylpiperazin-1-yl)-5-oxidanyl-1-oxidanylidene-3-phenyl-pentan-3-yl]-3-phenethyl-urea

Systemtic Name: 1-[4-(dimethylaminomethyl)-1-(4-methylpiperazin-1-yl)-5-oxidanyl-1-oxidanylidene-3-phenyl-pentan-3-yl]-3-phenethyl-urea Openeye Name: 1-[2-(dimethylaminomethyl)-3-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-phenyl-propyl]-3-phenethyl-urea CAS Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpentan-3-yl]-3-phenethylurea IUPAC Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpentan-3-yl]-3-phenethylurea Traditional Name: 1-[2-(dimethylaminomethyl)-3-hydroxy-1-[2-keto-2-(4-methylpiperazino)ethyl]-1-phenyl-propyl]-3-phenethyl-urea Formula: C28H41N5O3 MolecularWeight: 495.65684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC(C2=CC=CC=C2)(C(CN(C)C)CO)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)CC(C2=CC=CC=C2)(C(CN(C)C)CO)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H41N5O3/c1-31(2)21-25(22-34)28(24-12-8-5-9-13-24,20-26(35)33-18-16-32(3)17-19-33)30-27(36)29-15-14-23-10-6-4-7-11-23/h4-13,25,34H,14-22H2,1-3H3,(H2,29,30,36)