N-[(4-cyanophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-cyanophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-cyanophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-cyanobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-quinoline-3-carboxamide Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H17N3O3/c1-25-14-19(22(28)24-13-17-6-4-16(12-23)5-7-17)21(27)18-11-15(3-2-10-26)8-9-20(18)25/h4-9,11,14,26H,10,13H2,1H3,(H,24,28)