N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(5-oxidanylpent-1-ynyl)cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(5-oxidanylpent-1-ynyl)cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(5-hydroxypent-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C27H29ClN4O4 MolecularWeight: 508.99656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C#CCCCO)CN3CCOCC3)C(=O)C(=N1)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C#CCCCO)CN3CCOCC3)C(=O)C(=N1)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN4O4/c1-31-25-21(5-3-2-4-12-33)15-20(18-32-10-13-36-14-11-32)16-23(25)26(34)24(30-31)27(35)29-17-19-6-8-22(28)9-7-19/h6-9,15-16,33H,2,4,10-14,17-18H2,1H3,(H,29,35)