1-[2-[3-(imidazol-1-ylmethyl)indol-1-yl]ethyl]-3-methyl-urea hydrate

Systemtic Name: 1-[2-[3-(imidazol-1-ylmethyl)indol-1-yl]ethyl]-3-methyl-urea hydrate Openeye Name: 1-[2-[3-(imidazol-1-ylmethyl)indol-1-yl]ethyl]-3-methyl-urea hydrate CAS Name: 1-[2-[3-(1-imidazolylmethyl)-1-indolyl]ethyl]-3-methylurea hydrate IUPAC Name: 1-[2-[3-(imidazol-1-ylmethyl)indol-1-yl]ethyl]-3-methylurea hydrate Traditional Name: 1-[2-[3-(imidazol-1-ylmethyl)indol-1-yl]ethyl]-3-methyl-urea hydrate Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCCN1C=C(C2=CC=CC=C21)CN3C=CN=C3.O

Isomeric SMILES

CNC(=O)NCCN1C=C(C2=CC=CC=C21)CN3C=CN=C3.O

InChI

InChI=1S/C16H19N5O.H2O/c1-17-16(22)19-7-9-21-11-13(10-20-8-6-18-12-20)14-4-2-3-5-15(14)21;/h2-6,8,11-12H,7,9-10H2,1H3,(H2,17,19,22);1H2