1-[4-(4-fluorophenyl)-2,6,7-trimethyl-1-oxidanylidene-isoquinolin-3-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[4-(4-fluorophenyl)-2,6,7-trimethyl-1-oxidanylidene-isoquinolin-3-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(4-fluorophenyl)-2,6,7-trimethyl-1-oxo-3-isoquinolyl]urea CAS Name: 1-[4-(4-fluorophenyl)-2,6,7-trimethyl-1-oxo-3-isoquinolinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(4-fluorophenyl)-2,6,7-trimethyl-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-benzyl-3-[4-(4-fluorophenyl)-1-keto-2,6,7-trimethyl-3-isoquinolyl]urea Formula: C26H24FN3O2 MolecularWeight: 429.486063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H24FN3O2/c1-16-13-21-22(14-17(16)2)25(31)30(3)24(23(21)19-9-11-20(27)12-10-19)29-26(32)28-15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H2,28,29,32)