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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-(diphenylmethyl)urea Openeye Name: 1-benzhydryl-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-(diphenylmethyl)urea IUPAC Name: 1-benzhydryl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]urea Traditional Name: 1-benzhydryl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]urea Formula: C33H36N4O MolecularWeight: 504.66514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C33H36N4O/c1-36(2)30-19-17-26(18-20-30)31(37-22-21-25-11-9-10-16-29(25)24-37)23-34-33(38)35-32(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-20,31-32H,21-24H2,1-2H3,(H2,34,35,38)