N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methyl-3-oxidanyl-but-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methyl-3-oxidanyl-but-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-methyl-but-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxy-3-methyl-but-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C27H29ClN4O4 MolecularWeight: 508.99656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC2=C1N(N=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CN4CCOCC4)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC2=C1N(N=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CN4CCOCC4)O

InChI

InChI=1S/C27H29ClN4O4/c1-27(2,35)9-8-20-14-19(17-32-10-12-36-13-11-32)15-22-24(20)31(3)30-23(25(22)33)26(34)29-16-18-4-6-21(28)7-5-18/h4-7,14-15,35H,10-13,16-17H2,1-3H3,(H,29,34)