1-butyl-3-isoquinolin-1-yl-urea

Systemtic Name: 1-butyl-3-isoquinolin-1-yl-urea Openeye Name: 1-butyl-3-(1-isoquinolyl)urea CAS Name: 1-butyl-3-(1-isoquinolinyl)urea IUPAC Name: 1-butyl-3-isoquinolin-1-ylurea Traditional Name: 1-butyl-3-(1-isoquinolyl)urea Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CCCCNC(=O)NC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C14H17N3O/c1-2-3-9-16-14(18)17-13-12-7-5-4-6-11(12)8-10-15-13/h4-8,10H,2-3,9H2,1H3,(H2,15,16,17,18)