1-[3-(4-bromophenyl)carbonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[3-(4-bromophenyl)carbonyl-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[3-(4-bromobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolyl)urea CAS Name: 1-[3-[(4-bromophenyl)-oxomethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[3-(4-bromobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-isoquinolin-5-ylurea Traditional Name: 1-[3-(4-bromobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(5-isoquinolyl)urea Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C2NC(=O)NC3=CC=CC4=C3C=CN=C4)CN1C(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2C(C2NC(=O)NC3=CC=CC4=C3C=CN=C4)CN1C(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H19BrN4O2/c23-15-6-4-13(5-7-15)21(28)27-11-17-18(12-27)20(17)26-22(29)25-19-3-1-2-14-10-24-9-8-16(14)19/h1-10,17-18,20H,11-12H2,(H2,25,26,29)