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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(4-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-(4-fluoroanilino)-2-keto-1-methyl-ethyl]piperazine-1-carboxamide Formula: C23H24ClFN6O2 MolecularWeight: 470.927063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C23H24ClFN6O2/c1-14(22(32)28-17-5-3-16(25)4-6-17)27-23(33)31-10-8-30(9-11-31)20-13-21(26)29-19-12-15(24)2-7-18(19)20/h2-7,12-14H,8-11H2,1H3,(H2,26,29)(H,27,33)(H,28,32)