1-[1-(5-bromanylpyridin-2-yl)pyrrolidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-(5-bromanylpyridin-2-yl)pyrrolidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-(5-bromo-2-pyridyl)pyrrolidin-3-yl]-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[1-(5-bromo-2-pyridinyl)-3-pyrrolidinyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-(5-bromopyridin-2-yl)pyrrolidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(5-bromo-2-pyridyl)pyrrolidin-3-yl]-3-(1-methyl-5-isoquinolyl)urea Formula: C20H20BrN5O MolecularWeight: 426.3097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(C3)C4=NC=C(C=C4)Br

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(C3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O/c1-13-16-3-2-4-18(17(16)7-9-22-13)25-20(27)24-15-8-10-26(12-15)19-6-5-14(21)11-23-19/h2-7,9,11,15H,8,10,12H2,1H3,(H2,24,25,27)