1-(4-dimethylaminophenyl)-3-heptyl-1-[[2-(heptylcarbamoylamino)phenyl]methyl]urea hydrochloride

Systemtic Name: 1-(4-dimethylaminophenyl)-3-heptyl-1-[[2-(heptylcarbamoylamino)phenyl]methyl]urea hydrochloride Openeye Name: 1-(4-dimethylaminophenyl)-3-heptyl-1-[[2-(heptylcarbamoylamino)phenyl]methyl]urea hydrochloride CAS Name: 1-(4-dimethylaminophenyl)-3-heptyl-1-[[2-[[(heptylamino)-oxomethyl]amino]phenyl]methyl]urea hydrochloride IUPAC Name: 1-(4-dimethylaminophenyl)-3-heptyl-1-[[2-(heptylcarbamoylamino)phenyl]methyl]urea hydrochloride Traditional Name: 1-(4-dimethylaminophenyl)-3-heptyl-1-[2-(heptylcarbamoylamino)benzyl]urea hydrochloride Formula: C31H50ClN5O2 MolecularWeight: 560.214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)NC1=CC=CC=C1CN(C2=CC=C(C=C2)N(C)C)C(=O)NCCCCCCC.Cl

Isomeric SMILES

CCCCCCCNC(=O)NC1=CC=CC=C1CN(C2=CC=C(C=C2)N(C)C)C(=O)NCCCCCCC.Cl

InChI

InChI=1S/C31H49N5O2.ClH/c1-5-7-9-11-15-23-32-30(37)34-29-18-14-13-17-26(29)25-36(28-21-19-27(20-22-28)35(3)4)31(38)33-24-16-12-10-8-6-2;/h13-14,17-22H,5-12,15-16,23-25H2,1-4H3,(H,33,38)(H2,32,34,37);1H