1-(4-butylphenyl)-3-isoquinolin-5-yl-urea

Systemtic Name: 1-(4-butylphenyl)-3-isoquinolin-5-yl-urea Openeye Name: 1-(4-butylphenyl)-3-(5-isoquinolyl)urea CAS Name: 1-(4-butylphenyl)-3-(5-isoquinolinyl)urea IUPAC Name: 1-(4-butylphenyl)-3-isoquinolin-5-ylurea Traditional Name: 1-(4-butylphenyl)-3-(5-isoquinolyl)urea Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21N3O/c1-2-3-5-15-8-10-17(11-9-15)22-20(24)23-19-7-4-6-16-14-21-13-12-18(16)19/h4,6-14H,2-3,5H2,1H3,(H2,22,23,24)