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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-cyclohexylcarbonyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(cyclohexanecarbonyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-[cyclohexyl(oxo)methyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(cyclohexanecarbonyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(cyclohexanecarbonyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C27H35ClN6O3 MolecularWeight: 527.0582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C27H35ClN6O3/c28-19-9-10-20-22(16-19)30-24(29)17-23(20)32-12-14-33(15-13-32)27(37)31-21-8-4-5-11-34(26(21)36)25(35)18-6-2-1-3-7-18/h9-10,16-18,21H,1-8,11-15H2,(H2,29,30)(H,31,37)