1-(2-chloroethyl)-3-[2-(2-oxidanylidenecyclohepta[d]imidazol-1-yl)ethyl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[2-(2-oxidanylidenecyclohepta[d]imidazol-1-yl)ethyl]urea Openeye Name: 1-(2-chloroethyl)-3-[2-(2-oxocyclohepta[d]imidazol-1-yl)ethyl]urea CAS Name: 1-(2-chloroethyl)-3-[2-(2-oxo-1-cyclohepta[d]imidazolyl)ethyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[2-(2-oxocyclohepta[d]imidazol-1-yl)ethyl]urea Traditional Name: 1-(2-chloroethyl)-3-[2-(2-ketocyclohept[d]imidazol-1-yl)ethyl]urea Formula: C13H15ClN4O2 MolecularWeight: 294.7368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=NC(=O)N2CCNC(=O)NCCCl)C=C1

Isomeric SMILES

C1=CC=C2C(=NC(=O)N2CCNC(=O)NCCCl)C=C1

InChI

InChI=1S/C13H15ClN4O2/c14-6-7-15-12(19)16-8-9-18-11-5-3-1-2-4-10(11)17-13(18)20/h1-5H,6-9H2,(H2,15,16,19)