N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)-1H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-4-oxo-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-6-(4-oxanyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-6-(oxan-4-yl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxyprop-1-ynyl)-4-keto-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC3=C(C(=C2)C#CCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCC1C2=CC3=C(C(=C2)C#CCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3O4/c25-19-5-3-15(4-6-19)14-26-24(31)22-23(30)20-13-18(16-7-10-32-11-8-16)12-17(2-1-9-29)21(20)27-28-22/h3-6,12-13,16,29H,7-11,14H2,(H,26,31)(H,27,30)