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

Systemtic Name: 1-[1-(5-bromanylpyridin-2-yl)pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea Openeye Name: 1-[1-(5-bromo-2-pyridyl)pyrrolidin-3-yl]-3-(1,3-dimethyl-5-isoquinolyl)urea CAS Name: 1-[1-(5-bromo-2-pyridinyl)-3-pyrrolidinyl]-3-(1,3-dimethyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-(5-bromopyridin-2-yl)pyrrolidin-3-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea Traditional Name: 1-[1-(5-bromo-2-pyridyl)pyrrolidin-3-yl]-3-(1,3-dimethyl-5-isoquinolyl)urea Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)C4=NC=C(C=C4)Br)C

Isomeric SMILES

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)C4=NC=C(C=C4)Br)C

InChI

InChI=1S/C21H22BrN5O/c1-13-10-18-17(14(2)24-13)4-3-5-19(18)26-21(28)25-16-8-9-27(12-16)20-7-6-15(22)11-23-20/h3-7,10-11,16H,8-9,12H2,1-2H3,(H2,25,26,28)