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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-6-(morpholinomethyl)-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-6-(4-morpholinylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-6-(morpholin-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(2-cyclopropylethynyl)-4-keto-6-(morpholinomethyl)-1H-cinnoline-3-carboxamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2=CC(=CC3=C2NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CN5CCOCC5

Isomeric SMILES

C1CC1C#CC2=CC(=CC3=C2NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CN5CCOCC5

InChI

InChI=1S/C26H25ClN4O3/c27-21-7-4-18(5-8-21)15-28-26(33)24-25(32)22-14-19(16-31-9-11-34-12-10-31)13-20(23(22)29-30-24)6-3-17-1-2-17/h4-5,7-8,13-14,17H,1-2,9-12,15-16H2,(H,28,33)(H,29,32)