N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanyl-3-phenyl-prop-1-ynyl)-1H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanyl-3-phenyl-prop-1-ynyl)-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenyl-prop-1-ynyl)-4-oxo-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenylprop-1-ynyl)-6-(4-oxanylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenylprop-1-ynyl)-6-(oxan-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxy-3-phenyl-prop-1-ynyl)-4-keto-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide Formula: C31H28ClN3O4 MolecularWeight: 542.02472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=CC3=C(C(=C2)C#CC(C4=CC=CC=C4)O)NN=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCCC1CC2=CC3=C(C(=C2)C#CC(C4=CC=CC=C4)O)NN=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H28ClN3O4/c32-25-9-6-21(7-10-25)19-33-31(38)29-30(37)26-18-22(16-20-12-14-39-15-13-20)17-24(28(26)34-35-29)8-11-27(36)23-4-2-1-3-5-23/h1-7,9-10,17-18,20,27,36H,12-16,19H2,(H,33,38)(H,34,37)