4-(7-chloranylquinolin-4-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[1-(4-fluorobenzyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C27H29ClFN5O2 MolecularWeight: 510.002863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H29ClFN5O2/c28-20-6-9-22-24(17-20)30-11-10-25(22)32-13-15-33(16-14-32)27(36)31-23-3-1-2-12-34(26(23)35)18-19-4-7-21(29)8-5-19/h4-11,17,23H,1-3,12-16,18H2,(H,31,36)