3-oxidanyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide; sodium; hydrate

Systemtic Name: 3-oxidanyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide; sodium; hydrate Openeye Name: 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide; sodium; hydrate CAS Name: 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide; sodium; hydrate IUPAC Name: 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide; sodium; hydrate Traditional Name: 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]cinchoninamide; sodium; hydrate Formula: C25H24N2NaO3 MolecularWeight: 423.45943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O.O.[Na]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O.O.[Na]

InChI

InChI=1S/C25H22N2O2.Na.H2O/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18;;/h3-16,20,28H,2H2,1H3,(H,27,29);;1H2/t20-;;/m0../s1