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

Systemtic Name: 1-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-(3-fluoro-4-pyrrolidino-benzyl)-3-(3-methyl-5-isoquinolyl)urea Formula: C22H23FN4O MolecularWeight: 378.442623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCC4)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCC4)F

InChI

InChI=1S/C22H23FN4O/c1-15-11-18-17(14-24-15)5-4-6-20(18)26-22(28)25-13-16-7-8-21(19(23)12-16)27-9-2-3-10-27/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H2,25,26,28)