1-isoquinolin-1-yl-3-(2-pent-1-ynylphenyl)urea

Systemtic Name: 1-isoquinolin-1-yl-3-(2-pent-1-ynylphenyl)urea Openeye Name: 1-(1-isoquinolyl)-3-(2-pent-1-ynylphenyl)urea CAS Name: 1-(1-isoquinolinyl)-3-(2-pent-1-ynylphenyl)urea IUPAC Name: 1-isoquinolin-1-yl-3-(2-pent-1-ynylphenyl)urea Traditional Name: 1-(1-isoquinolyl)-3-(2-pent-1-ynylphenyl)urea Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=CC=C1NC(=O)NC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCCC#CC1=CC=CC=C1NC(=O)NC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H19N3O/c1-2-3-4-10-17-11-6-8-13-19(17)23-21(25)24-20-18-12-7-5-9-16(18)14-15-22-20/h5-9,11-15H,2-3H2,1H3,(H2,22,23,24,25)