4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-6-chloranyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-6-chloranyl-quinoline-3-carboxylic acid Openeye Name: 4-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]amino]-6-chloro-3-quinolinecarboxylic acid IUPAC Name: 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-6-chloroquinoline-3-carboxylic acid Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]amino]-6-chloro-quinoline-3-carboxylic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)Cl

InChI

InChI=1S/C18H20ClN3O3/c19-12-5-6-15-13(9-12)17(14(10-20-15)18(24)25)21-11-16(23)22-7-3-1-2-4-8-22/h5-6,9-10H,1-4,7-8,11H2,(H,20,21)(H,24,25)