3-(2,4-dimethoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-urea

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-urea Openeye Name: 3-(2,4-dimethoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-pentyl-urea CAS Name: 3-(2,4-dimethoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea Traditional Name: 1-amyl-3-(2,4-dimethoxyphenyl)-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea Formula: C26H35N3O4 MolecularWeight: 453.5738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N3O4/c1-5-6-9-15-28(26(31)27-23-13-12-21(32-3)17-24(23)33-4)18-25(30)29-16-14-20-10-7-8-11-22(20)19(29)2/h7-8,10-13,17,19H,5-6,9,14-16,18H2,1-4H3,(H,27,31)