1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]urea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]urea Traditional Name: 1-benzyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]urea Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)NCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)NCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H32N4O/c1-30(2)25-14-12-23(13-15-25)26(31-17-16-22-10-6-7-11-24(22)20-31)19-29-27(32)28-18-21-8-4-3-5-9-21/h3-15,26H,16-20H2,1-2H3,(H2,28,29,32)