calcium 5-chloranyl-N-ethyl-1-methyl-2,4-bis(oxidanylidene)-N-phenyl-quinoline-3-carboxamide

Systemtic Name: calcium 5-chloranyl-N-ethyl-1-methyl-2,4-bis(oxidanylidene)-N-phenyl-quinoline-3-carboxamide Openeye Name: calcium 5-chloro-N-ethyl-1-methyl-2,4-dioxo-N-phenyl-quinoline-3-carboxamide CAS Name: calcium 5-chloro-N-ethyl-1-methyl-2,4-dioxo-N-phenyl-3-quinolinecarboxamide IUPAC Name: calcium 5-chloro-N-ethyl-1-methyl-2,4-dioxo-N-phenylquinoline-3-carboxamide Traditional Name: calcium 5-chloro-N-ethyl-2,4-diketo-1-methyl-N-phenyl-quinoline-3-carboxamide Formula: C38H34CaCl2N4O6+2 MolecularWeight: 753.68376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2C(=O)C3=C(C=CC=C3Cl)N(C2=O)C.CCN(C1=CC=CC=C1)C(=O)C2C(=O)C3=C(C=CC=C3Cl)N(C2=O)C.[Ca+2]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2C(=O)C3=C(C=CC=C3Cl)N(C2=O)C.CCN(C1=CC=CC=C1)C(=O)C2C(=O)C3=C(C=CC=C3Cl)N(C2=O)C.[Ca+2]

InChI

InChI=1S/2C19H17ClN2O3.Ca/c2*1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24;/h2*4-11,16H,3H2,1-2H3;/q;;+2