N-[3-azanyl-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]-4-methyl-benzamide

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]-4-methyl-benzamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]-4-methyl-benzamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]-4-methylbenzamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(3-methoxypropyl)-7-isoquinolyl]-4-methyl-benzamide Formula: C27H26FN3O3 MolecularWeight: 459.512043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CCCOC)N)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CCCOC)N)C4=CC=CC=C4F

InChI

InChI=1S/C27H26FN3O3/c1-17-8-10-18(11-9-17)26(32)30-19-12-13-20-22(16-19)27(33)31(14-5-15-34-2)25(29)24(20)21-6-3-4-7-23(21)28/h3-4,6-13,16H,5,14-15,29H2,1-2H3,(H,30,32)