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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanyl-3-phenyl-prop-1-ynyl)cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenyl-prop-1-ynyl)-1-methyl-4-oxo-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenylprop-1-ynyl)-1-methyl-6-(4-oxanylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenylprop-1-ynyl)-1-methyl-6-(oxan-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxy-3-phenyl-prop-1-ynyl)-4-keto-1-methyl-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide Formula: C32H30ClN3O4 MolecularWeight: 556.0513

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C#CC(C3=CC=CC=C3)O)CC4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C#CC(C3=CC=CC=C3)O)CC4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H30ClN3O4/c1-36-30-25(9-12-28(37)24-5-3-2-4-6-24)18-23(17-21-13-15-40-16-14-21)19-27(30)31(38)29(35-36)32(39)34-20-22-7-10-26(33)11-8-22/h2-8,10-11,18-19,21,28,37H,13-17,20H2,1H3,(H,34,39)