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

Systemtic Name: calcium N,5-diethyl-1-methyl-2,4-bis(oxidanylidene)-N-phenyl-quinoline-3-carboxamide Openeye Name: calcium N,5-diethyl-1-methyl-2,4-dioxo-N-phenyl-quinoline-3-carboxamide CAS Name: calcium N,5-diethyl-1-methyl-2,4-dioxo-N-phenyl-3-quinolinecarboxamide IUPAC Name: calcium N,5-diethyl-1-methyl-2,4-dioxo-N-phenylquinoline-3-carboxamide Traditional Name: calcium N,5-diethyl-2,4-diketo-1-methyl-N-phenyl-quinoline-3-carboxamide Formula: C42H44CaN4O6+2 MolecularWeight: 740.89996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C(=O)C(C2=O)C(=O)N(CC)C3=CC=CC=C3)C.CCC1=C2C(=CC=C1)N(C(=O)C(C2=O)C(=O)N(CC)C3=CC=CC=C3)C.[Ca+2]

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C(=O)C(C2=O)C(=O)N(CC)C3=CC=CC=C3)C.CCC1=C2C(=CC=C1)N(C(=O)C(C2=O)C(=O)N(CC)C3=CC=CC=C3)C.[Ca+2]

InChI

InChI=1S/2C21H22N2O3.Ca/c2*1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15;/h2*6-13,18H,4-5H2,1-3H3;/q;;+2