4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(4-fluorophenyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(4-fluorophenyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(4-fluorophenyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(4-fluorophenyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C26H28ClFN6O2 MolecularWeight: 510.990923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H28ClFN6O2/c27-17-4-9-20-22(15-17)30-24(29)16-23(20)32-11-13-33(14-12-32)26(36)31-21-3-1-2-10-34(25(21)35)19-7-5-18(28)6-8-19/h4-9,15-16,21H,1-3,10-14H2,(H2,29,30)(H,31,36)