N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(2-phenylethynyl)-1H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(2-phenylethynyl)-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-8-(2-phenylethynyl)-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-oxanylmethyl)-4-oxo-8-(2-phenylethynyl)-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxo-8-(2-phenylethynyl)-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-8-(2-phenylethynyl)-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide Formula: C30H26ClN3O3 MolecularWeight: 511.99874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=CC3=C(C(=C2)C#CC4=CC=CC=C4)NN=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCCC1CC2=CC3=C(C(=C2)C#CC4=CC=CC=C4)NN=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H26ClN3O3/c31-25-10-7-22(8-11-25)19-32-30(36)28-29(35)26-18-23(16-21-12-14-37-15-13-21)17-24(27(26)33-34-28)9-6-20-4-2-1-3-5-20/h1-5,7-8,10-11,17-18,21H,12-16,19H2,(H,32,36)(H,33,35)