1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxidanylidene-5-propan-2-yl-cyclohepta[d]imidazol-1-yl)ethyl]urea

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxidanylidene-5-propan-2-yl-cyclohepta[d]imidazol-1-yl)ethyl]urea Openeye Name: 1-(2-chloroethyl)-3-[2-(5-isopropyl-2-oxo-cyclohepta[d]imidazol-1-yl)ethyl]-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxo-5-propan-2-yl-1-cyclohepta[d]imidazolyl)ethyl]urea IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxo-5-propan-2-ylcyclohepta[d]imidazol-1-yl)ethyl]urea Traditional Name: 1-(2-chloroethyl)-3-[2-(5-isopropyl-2-keto-cyclohept[d]imidazol-1-yl)ethyl]-1-nitroso-urea Formula: C16H20ClN5O3 MolecularWeight: 365.8147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=NC(=O)N(C2=CC=C1)CCNC(=O)N(CCCl)N=O

Isomeric SMILES

CC(C)C1=CC2=NC(=O)N(C2=CC=C1)CCNC(=O)N(CCCl)N=O

InChI

InChI=1S/C16H20ClN5O3/c1-11(2)12-4-3-5-14-13(10-12)19-16(24)21(14)9-7-18-15(23)22(20-25)8-6-17/h3-5,10-11H,6-9H2,1-2H3,(H,18,23)