1-(8-fluoranyl-2,2-dimethyl-7-piperidin-1-yl-3,4-dihydrochromen-4-yl)-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-(8-fluoranyl-2,2-dimethyl-7-piperidin-1-yl-3,4-dihydrochromen-4-yl)-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[8-fluoro-2,2-dimethyl-7-(1-piperidyl)chroman-4-yl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[8-fluoro-2,2-dimethyl-7-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-(8-fluoro-2,2-dimethyl-7-piperidin-1-yl-3,4-dihydrochromen-4-yl)-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-(8-fluoro-2,2-dimethyl-7-piperidino-chroman-4-yl)-3-(3-methyl-5-isoquinolyl)urea Formula: C27H31FN4O2 MolecularWeight: 462.559043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CC(OC4=C3C=CC(=C4F)N5CCCCC5)(C)C

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CC(OC4=C3C=CC(=C4F)N5CCCCC5)(C)C

InChI

InChI=1S/C27H31FN4O2/c1-17-14-20-18(16-29-17)8-7-9-21(20)30-26(33)31-22-15-27(2,3)34-25-19(22)10-11-23(24(25)28)32-12-5-4-6-13-32/h7-11,14,16,22H,4-6,12-13,15H2,1-3H3,(H2,30,31,33)