1-[2-[2-(2-azanyl-3-phenylmethoxy-propanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]-3-methyl-urea

Systemtic Name: 1-[2-[2-(2-azanyl-3-phenylmethoxy-propanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]-3-methyl-urea Openeye Name: 1-[2-[2-(2-amino-3-benzyloxy-propanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]-3-methyl-urea CAS Name: 1-[2-[2-(2-amino-1-oxo-3-phenylmethoxypropyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]-3-methylurea IUPAC Name: 1-[2-[2-(2-amino-3-phenylmethoxypropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]-3-methylurea Traditional Name: 1-[2-[2-(2-amino-3-benzoxy-propanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]-3-methyl-urea Formula: C27H30N4O3 MolecularWeight: 458.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)C(COCC4=CC=CC=C4)N)C=C2

Isomeric SMILES

CNC(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)C(COCC4=CC=CC=C4)N)C=C2

InChI

InChI=1S/C27H30N4O3/c1-29-27(33)30-25-10-6-5-9-23(25)21-11-12-22-16-31(14-13-20(22)15-21)26(32)24(28)18-34-17-19-7-3-2-4-8-19/h2-12,15,24H,13-14,16-18,28H2,1H3,(H2,29,30,33)