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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-8-(3-oxidanylbut-1-ynyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-6-(morpholinomethyl)-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-6-(4-morpholinylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxybut-1-ynyl)-4-keto-6-(morpholinomethyl)-1H-cinnoline-3-carboxamide Formula: C25H25ClN4O4 MolecularWeight: 480.9434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC2=C1NN=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)CN4CCOCC4)O

Isomeric SMILES

CC(C#CC1=CC(=CC2=C1NN=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)CN4CCOCC4)O

InChI

InChI=1S/C25H25ClN4O4/c1-16(31)2-5-19-12-18(15-30-8-10-34-11-9-30)13-21-22(19)28-29-23(24(21)32)25(33)27-14-17-3-6-20(26)7-4-17/h3-4,6-7,12-13,16,31H,8-11,14-15H2,1H3,(H,27,33)(H,28,32)