1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-yl-urea

Systemtic Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-yl-urea Openeye Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(4-quinolyl)urea CAS Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(4-quinolinyl)urea IUPAC Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-ylurea Traditional Name: 1-[2-(6,7-dimethoxy-1-piperonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-quinolyl)urea Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCNC(=O)NC3=CC=NC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CCNC(=O)NC3=CC=NC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C31H32N4O5/c1-37-28-17-21-10-13-35(14-12-33-31(36)34-25-9-11-32-24-6-4-3-5-22(24)25)26(23(21)18-29(28)38-2)15-20-7-8-27-30(16-20)40-19-39-27/h3-9,11,16-18,26H,10,12-15,19H2,1-2H3,(H2,32,33,34,36)