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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(5-oxidanylpent-1-ynyl)-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-6-(morpholinomethyl)-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-6-(4-morpholinylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(5-hydroxypent-1-ynyl)-4-keto-6-(morpholinomethyl)-1H-cinnoline-3-carboxamide Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C(=C2)C#CCCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1CC2=CC3=C(C(=C2)C#CCCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN4O4/c27-21-7-5-18(6-8-21)16-28-26(34)24-25(33)22-15-19(17-31-9-12-35-13-10-31)14-20(23(22)29-30-24)4-2-1-3-11-32/h5-8,14-15,32H,1,3,9-13,16-17H2,(H,28,34)(H,29,33)