1-(2-chloroethyl)-3-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]urea Openeye Name: 1-(2-chloroethyl)-3-(4,4-dimethyl-1,3-dioxo-7-isoquinolyl)urea CAS Name: 1-(2-chloroethyl)-3-(4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)urea IUPAC Name: 1-(2-chloroethyl)-3-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)urea Traditional Name: 1-(2-chloroethyl)-3-(1,3-diketo-4,4-dimethyl-7-isoquinolyl)urea Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)NC(=O)NCCCl)C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)NC(=O)NCCCl)C(=O)NC1=O)C

InChI

InChI=1S/C14H16ClN3O3/c1-14(2)10-4-3-8(17-13(21)16-6-5-15)7-9(10)11(19)18-12(14)20/h3-4,7H,5-6H2,1-2H3,(H2,16,17,21)(H,18,19,20)