1-[3-(2-azanylethyl)-1H-indol-5-yl]-3-phenyl-urea hydrate

Systemtic Name: 1-[3-(2-azanylethyl)-1H-indol-5-yl]-3-phenyl-urea hydrate Openeye Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-phenyl-urea hydrate CAS Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-phenylurea hydrate IUPAC Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-phenylurea hydrate Traditional Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-phenyl-urea hydrate Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)NC=C3CCN.O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)NC=C3CCN.O

InChI

InChI=1S/C17H18N4O.H2O/c18-9-8-12-11-19-16-7-6-14(10-15(12)16)21-17(22)20-13-4-2-1-3-5-13;/h1-7,10-11,19H,8-9,18H2,(H2,20,21,22);1H2