N-[2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(cyclohexylamino)-2-oxo-1-(6-quinolyl)ethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-(6-quinolyl)ethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C32H30FN3O4 MolecularWeight: 539.596703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2)N=CC=C3)N(C4=CC(=CC=C4)F)C(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2)N=CC=C3)N(C4=CC(=CC=C4)F)C(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C32H30FN3O4/c33-24-7-4-10-26(20-24)36(32(38)23-12-14-28-29(19-23)40-17-16-39-28)30(31(37)35-25-8-2-1-3-9-25)22-11-13-27-21(18-22)6-5-15-34-27/h4-7,10-15,18-20,25,30H,1-3,8-9,16-17H2,(H,35,37)