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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(2-phenylethynyl)cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8-(2-phenylethynyl)-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(4-oxanylmethyl)-4-oxo-8-(2-phenylethynyl)-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-4-oxo-8-(2-phenylethynyl)cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-methyl-8-(2-phenylethynyl)-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide Formula: C31H28ClN3O3 MolecularWeight: 526.02532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C#CC3=CC=CC=C3)CC4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C#CC3=CC=CC=C3)CC4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H28ClN3O3/c1-35-29-25(10-7-21-5-3-2-4-6-21)18-24(17-22-13-15-38-16-14-22)19-27(29)30(36)28(34-35)31(37)33-20-23-8-11-26(32)12-9-23/h2-6,8-9,11-12,18-19,22H,13-17,20H2,1H3,(H,33,37)