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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclohexylethynyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclohexylethynyl)-6-(morpholinomethyl)-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclohexylethynyl)-6-(4-morpholinylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclohexylethynyl)-6-(morpholin-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(2-cyclohexylethynyl)-4-keto-6-(morpholinomethyl)-1H-cinnoline-3-carboxamide Formula: C29H31ClN4O3 MolecularWeight: 519.03444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C#CC2=CC(=CC3=C2NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CN5CCOCC5

Isomeric SMILES

C1CCC(CC1)C#CC2=CC(=CC3=C2NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CN5CCOCC5

InChI

InChI=1S/C29H31ClN4O3/c30-24-10-7-21(8-11-24)18-31-29(36)27-28(35)25-17-22(19-34-12-14-37-15-13-34)16-23(26(25)32-33-27)9-6-20-4-2-1-3-5-20/h7-8,10-11,16-17,20H,1-5,12-15,18-19H2,(H,31,36)(H,32,35)