4-[7-chloranyl-2-(propan-2-ylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[7-chloranyl-2-(propan-2-ylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[7-chloro-2-(isopropylamino)-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[7-chloro-2-(propan-2-ylamino)-4-quinolinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-chloro-2-(propan-2-ylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[7-chloro-2-(isopropylamino)-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C23H25ClFN5O MolecularWeight: 441.928903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25ClFN5O/c1-15(2)26-22-14-21(19-8-3-16(24)13-20(19)28-22)29-9-11-30(12-10-29)23(31)27-18-6-4-17(25)5-7-18/h3-8,13-15H,9-12H2,1-2H3,(H,26,28)(H,27,31)