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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-8-(3-oxidanylbut-1-ynyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxybut-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O4/c1-17(32)3-6-20-13-19(16-31-9-11-35-12-10-31)14-22-24(20)30(2)29-23(25(22)33)26(34)28-15-18-4-7-21(27)8-5-18/h4-5,7-8,13-14,17,32H,9-12,15-16H2,1-2H3,(H,28,34)