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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(2-cyclopropylethynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(2-cyclopropylethynyl)-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C#CC3CC3)CN4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C#CC3CC3)CN4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H27ClN4O3/c1-31-25-21(7-4-18-2-3-18)14-20(17-32-10-12-35-13-11-32)15-23(25)26(33)24(30-31)27(34)29-16-19-5-8-22(28)9-6-19/h5-6,8-9,14-15,18H,2-3,10-13,16-17H2,1H3,(H,29,34)