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

Systemtic Name: 4-[2-(2-azanylethylamino)-7-chloranyl-quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(2-aminoethylamino)-7-chloro-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[2-(2-aminoethylamino)-7-chloro-4-quinolinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(2-aminoethylamino)-7-chloroquinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(2-aminoethylamino)-7-chloro-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C22H24ClFN6O MolecularWeight: 442.916963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)NCCN)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)NCCN)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24ClFN6O/c23-15-1-6-18-19(13-15)28-21(26-8-7-25)14-20(18)29-9-11-30(12-10-29)22(31)27-17-4-2-16(24)3-5-17/h1-6,13-14H,7-12,25H2,(H,26,28)(H,27,31)