1-[(4R)-8-chloranyl-7-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[(4R)-8-chloranyl-7-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[(4R)-8-chloro-7-fluoro-2,2-dimethyl-chroman-4-yl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[(4R)-8-chloro-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[(4R)-8-chloro-7-fluoro-2,2-dimethyl-chroman-4-yl]-3-(3-methyl-5-isoquinolyl)urea Formula: C22H21ClFN3O2 MolecularWeight: 413.872443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CC(OC4=C3C=CC(=C4Cl)F)(C)C

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)N[C@@H]3CC(OC4=C3C=CC(=C4Cl)F)(C)C

InChI

InChI=1S/C22H21ClFN3O2/c1-12-9-15-13(11-25-12)5-4-6-17(15)26-21(28)27-18-10-22(2,3)29-20-14(18)7-8-16(24)19(20)23/h4-9,11,18H,10H2,1-3H3,(H2,26,27,28)/t18-/m1/s1