2-chloranyl-N-[2-[[4-(2-oxidanylidenepiperazin-1-yl)phenyl]carbonylamino]cyclohexyl]quinoline-6-carboxamide

Systemtic Name: 2-chloranyl-N-[2-[[4-(2-oxidanylidenepiperazin-1-yl)phenyl]carbonylamino]cyclohexyl]quinoline-6-carboxamide Openeye Name: 2-chloro-N-[2-[[4-(2-oxopiperazin-1-yl)benzoyl]amino]cyclohexyl]quinoline-6-carboxamide CAS Name: 2-chloro-N-[2-[[oxo-[4-(2-oxo-1-piperazinyl)phenyl]methyl]amino]cyclohexyl]-6-quinolinecarboxamide IUPAC Name: 2-chloro-N-[2-[[4-(2-oxopiperazin-1-yl)benzoyl]amino]cyclohexyl]quinoline-6-carboxamide Traditional Name: 2-chloro-N-[2-[[4-(2-ketopiperazino)benzoyl]amino]cyclohexyl]quinoline-6-carboxamide Formula: C27H28ClN5O3 MolecularWeight: 505.99592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC=C(C=C2)N3CCNCC3=O)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)Cl

Isomeric SMILES

C1CCC(C(C1)NC(=O)C2=CC=C(C=C2)N3CCNCC3=O)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)Cl

InChI

InChI=1S/C27H28ClN5O3/c28-24-12-8-18-15-19(7-11-21(18)30-24)27(36)32-23-4-2-1-3-22(23)31-26(35)17-5-9-20(10-6-17)33-14-13-29-16-25(33)34/h5-12,15,22-23,29H,1-4,13-14,16H2,(H,31,35)(H,32,36)