1-[3-(cyanomethyl)-1-methyl-indol-5-yl]urea

Systemtic Name: 1-[3-(cyanomethyl)-1-methyl-indol-5-yl]urea Openeye Name: [3-(cyanomethyl)-1-methyl-indol-5-yl]urea CAS Name: [3-(cyanomethyl)-1-methyl-5-indolyl]urea IUPAC Name: [3-(cyanomethyl)-1-methylindol-5-yl]urea Traditional Name: [3-(cyanomethyl)-1-methyl-indol-5-yl]urea Formula: C12H12N4O MolecularWeight: 228.24988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)NC(=O)N)CC#N

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)NC(=O)N)CC#N

InChI

InChI=1S/C12H12N4O/c1-16-7-8(4-5-13)10-6-9(15-12(14)17)2-3-11(10)16/h2-3,6-7H,4H2,1H3,(H3,14,15,17)