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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-veratryl-urea Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCCN2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCCN2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C21H27N3O3/c1-26-19-8-7-16(13-20(19)27-2)14-23-21(25)22-10-12-24-11-9-17-5-3-4-6-18(17)15-24/h3-8,13H,9-12,14-15H2,1-2H3,(H2,22,23,25)