1-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-[(4-chloro-3-fluoro-phenyl)methyl]pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[1-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrolidinyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(4-chloro-3-fluoro-benzyl)pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC(=C(C=C4)Cl)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C22H22ClFN4O/c1-14-9-18-16(11-25-14)3-2-4-21(18)27-22(29)26-17-7-8-28(13-17)12-15-5-6-19(23)20(24)10-15/h2-6,9-11,17H,7-8,12-13H2,1H3,(H2,26,27,29)