1-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[[5-(4-ethoxyphenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-[[5-(4-ethoxyphenyl)-8-isoquinolinyl]methyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-benzyl-3-[(5-p-phenetyl-8-isoquinolyl)methyl]urea Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-2-31-22-11-8-20(9-12-22)23-13-10-21(25-18-27-15-14-24(23)25)17-29-26(30)28-16-19-6-4-3-5-7-19/h3-15,18H,2,16-17H2,1H3,(H2,28,29,30)