4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(2-oxidanylidene-1-pyrrolidin-1-ylcarbonyl-azepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(2-oxidanylidene-1-pyrrolidin-1-ylcarbonyl-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-oxo-1-(pyrrolidine-1-carbonyl)azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-[oxo(1-pyrrolidinyl)methyl]-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(pyrrolidine-1-carbonyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-keto-1-(pyrrolidine-1-carbonyl)azepan-3-yl]piperazine-1-carboxamide Formula: C25H32ClN7O3 MolecularWeight: 514.01968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)N5CCCC5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)N5CCCC5

InChI

InChI=1S/C25H32ClN7O3/c26-17-6-7-18-20(15-17)28-22(27)16-21(18)30-11-13-31(14-12-30)24(35)29-19-5-1-2-10-33(23(19)34)25(36)32-8-3-4-9-32/h6-7,15-16,19H,1-5,8-14H2,(H2,27,28)(H,29,35)