1-(2-methylphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(o-tolyl)urea CAS Name: 1-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-(2-methylphenyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(o-tolyl)urea Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

InChI=1S/C21H25N3O2/c1-14(2)20(25)24-11-10-16-8-9-18(12-17(16)13-24)22-21(26)23-19-7-5-4-6-15(19)3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,23,26)