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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(2-oxidanyl-3-phenoxy-propyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(2-hydroxy-3-phenoxy-propyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-(2-hydroxy-3-phenoxypropyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(2-hydroxy-3-phenoxypropyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(2-hydroxy-3-phenoxy-propyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C29H35ClN6O4 MolecularWeight: 567.079

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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)CC(COC5=CC=CC=C5)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC(COC5=CC=CC=C5)O

InChI

InChI=1S/C29H35ClN6O4/c30-20-9-10-23-25(16-20)32-27(31)17-26(23)34-12-14-35(15-13-34)29(39)33-24-8-4-5-11-36(28(24)38)18-21(37)19-40-22-6-2-1-3-7-22/h1-3,6-7,9-10,16-17,21,24,37H,4-5,8,11-15,18-19H2,(H2,31,32)(H,33,39)