4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-(4-fluoroanilino)-2-keto-ethyl]piperazine-1-carboxamide Formula: C22H22ClFN6O2 MolecularWeight: 456.900483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN6O2/c23-14-1-6-17-18(11-14)28-20(25)12-19(17)29-7-9-30(10-8-29)22(32)26-13-21(31)27-16-4-2-15(24)3-5-16/h1-6,11-12H,7-10,13H2,(H2,25,28)(H,26,32)(H,27,31)