1-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-3-isopropyl-urea CAS Name: 1-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]-3-isopropyl-urea Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O2/c1-15(2)23-21(26)22-13-16-7-9-18(10-8-16)20(25)24-12-11-17-5-3-4-6-19(17)14-24/h3-10,15H,11-14H2,1-2H3,(H2,22,23,26)