1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-pyridin-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-pyridin-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-pyridyl)urea CAS Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-pyridin-4-ylurea IUPAC Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-pyridin-4-ylurea Traditional Name: 1-[2-(6,7-dimethoxy-1-piperonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-pyridyl)urea Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCNC(=O)NC3=CC=NC=C3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CCNC(=O)NC3=CC=NC=C3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C27H30N4O5/c1-33-24-15-19-7-11-31(12-10-29-27(32)30-20-5-8-28-9-6-20)22(21(19)16-25(24)34-2)13-18-3-4-23-26(14-18)36-17-35-23/h3-6,8-9,14-16,22H,7,10-13,17H2,1-2H3,(H2,28,29,30,32)