1-[3-[6,7-dimethoxy-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-3-quinolin-4-yl-urea

Systemtic Name: 1-[3-[6,7-dimethoxy-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-3-quinolin-4-yl-urea Openeye Name: 1-[3-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-quinolyl)urea CAS Name: 1-[3-[6,7-dimethoxy-1-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-3-(4-quinolinyl)urea IUPAC Name: 1-[3-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-quinolin-4-ylurea Traditional Name: 1-[3-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(4-quinolyl)urea Formula: C31H34N4O3 MolecularWeight: 510.62666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O3/c1-37-29-20-23-14-18-35(28(25(23)21-30(29)38-2)19-22-9-4-3-5-10-22)17-8-15-33-31(36)34-27-13-16-32-26-12-7-6-11-24(26)27/h3-7,9-13,16,20-21,28H,8,14-15,17-19H2,1-2H3,(H2,32,33,34,36)