butan-1-amine; N,1-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-N-phenyl-quinoline-3-carboxamide

Systemtic Name: butan-1-amine; N,1-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-N-phenyl-quinoline-3-carboxamide Openeye Name: butan-1-amine; 2,6-dihydroxy-N,1-dimethyl-4-oxo-N-phenyl-quinoline-3-carboxamide CAS Name: 1-butanamine; 2,6-dihydroxy-N,1-dimethyl-4-oxo-N-phenyl-3-quinolinecarboxamide IUPAC Name: butan-1-amine; 2,6-dihydroxy-N,1-dimethyl-4-oxo-N-phenylquinoline-3-carboxamide Traditional Name: butylamine; 2,6-dihydroxy-4-keto-N,1-dimethyl-N-phenyl-quinoline-3-carboxamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CN1C2=C(C=C(C=C2)O)C(=O)C(=C1O)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CCCCN.CN1C2=C(C=C(C=C2)O)C(=O)C(=C1O)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4.C4H11N/c1-19(11-6-4-3-5-7-11)17(23)15-16(22)13-10-12(21)8-9-14(13)20(2)18(15)24;1-2-3-4-5/h3-10,21,24H,1-2H3;2-5H2,1H3