1-[3-azanyl-4-(3-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-phenyl-urea

Systemtic Name: 1-[3-azanyl-4-(3-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-phenyl-urea Openeye Name: 1-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-3-phenyl-urea CAS Name: 1-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-3-phenylurea IUPAC Name: 1-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-phenylurea Traditional Name: 1-[3-amino-4-(3-fluorophenyl)-1-keto-2-(tetrahydrofurfuryl)-7-isoquinolyl]-3-phenyl-urea Formula: C27H25FN4O3 MolecularWeight: 472.510803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C(C3=C(C2=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)C5=CC(=CC=C5)F)N

Isomeric SMILES

C1CC(OC1)CN2C(=C(C3=C(C2=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)C5=CC(=CC=C5)F)N

InChI

InChI=1S/C27H25FN4O3/c28-18-7-4-6-17(14-18)24-22-12-11-20(31-27(34)30-19-8-2-1-3-9-19)15-23(22)26(33)32(25(24)29)16-21-10-5-13-35-21/h1-4,6-9,11-12,14-15,21H,5,10,13,16,29H2,(H2,30,31,34)