1-isoquinolin-5-yl-3-[3-(5-nitropyridin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[3-(5-nitropyridin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]urea Openeye Name: 1-(5-isoquinolyl)-3-[3-(5-nitro-2-pyridyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea CAS Name: 1-(5-isoquinolinyl)-3-[3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[3-(5-nitropyridin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]urea Traditional Name: 1-(5-isoquinolyl)-3-[3-(5-nitro-2-pyridyl)-3-azabicyclo[3.1.0]hexan-6-yl]urea Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2NC(=O)NC3=CC=CC4=C3C=CN=C4)CN1C5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2C(C2NC(=O)NC3=CC=CC4=C3C=CN=C4)CN1C5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3/c27-20(23-17-3-1-2-12-8-21-7-6-14(12)17)24-19-15-10-25(11-16(15)19)18-5-4-13(9-22-18)26(28)29/h1-9,15-16,19H,10-11H2,(H2,23,24,27)