1-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-(6-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-(6-bromo-2,2-dimethyl-chroman-4-yl)-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-(6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-(6-bromo-2,2-dimethyl-chroman-4-yl)-3-(1-methyl-5-isoquinolyl)urea Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CC(OC4=C3C=C(C=C4)Br)(C)C

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CC(OC4=C3C=C(C=C4)Br)(C)C

InChI

InChI=1S/C22H22BrN3O2/c1-13-15-5-4-6-18(16(15)9-10-24-13)25-21(27)26-19-12-22(2,3)28-20-8-7-14(23)11-17(19)20/h4-11,19H,12H2,1-3H3,(H2,25,26,27)