1-(4-cyanophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea CAS Name: 1-(4-cyanophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]urea Formula: C21H24N4O MolecularWeight: 348.44146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)NC1=CC=C(C=C1)C#N)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)NC1=CC=C(C=C1)C#N)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24N4O/c1-2-20(25-12-11-17-5-3-4-6-18(17)15-25)14-23-21(26)24-19-9-7-16(13-22)8-10-19/h3-10,20H,2,11-12,14-15H2,1H3,(H2,23,24,26)