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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(2,4-dimethoxyphenyl)urea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethoxyphenyl)urea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-(2,4-dimethoxyphenyl)urea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethoxyphenyl)urea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethoxyphenyl)urea Formula: C29H32N4O4 MolecularWeight: 500.58878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5)OC

InChI

InChI=1S/C29H32N4O4/c1-36-23-10-11-25(27(18-23)37-2)31-29(35)30-22-9-12-26(24(17-22)28(34)32-14-5-6-15-32)33-16-13-20-7-3-4-8-21(20)19-33/h3-4,7-12,17-18H,5-6,13-16,19H2,1-2H3,(H2,30,31,35)