1-(1-adamantylmethyl)-3-isoquinolin-5-yl-urea

Systemtic Name: 1-(1-adamantylmethyl)-3-isoquinolin-5-yl-urea Openeye Name: 1-(1-adamantylmethyl)-3-(5-isoquinolyl)urea CAS Name: 1-(1-adamantylmethyl)-3-(5-isoquinolinyl)urea IUPAC Name: 1-(1-adamantylmethyl)-3-isoquinolin-5-ylurea Traditional Name: 1-(1-adamantylmethyl)-3-(5-isoquinolyl)urea Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C21H25N3O/c25-20(24-19-3-1-2-17-12-22-5-4-18(17)19)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,12,14-16H,6-11,13H2,(H2,23,24,25)