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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-4-oxo-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(4-oxanylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(oxan-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=CC3=C(C(=C2)C#CCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCC1CC2=CC3=C(C(=C2)C#CCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O4/c27-21-6-4-18(5-7-21)16-28-26(33)24-25(32)22-15-19(13-17-8-11-34-12-9-17)14-20(3-1-2-10-31)23(22)29-30-24/h4-7,14-15,17,31H,2,8-13,16H2,(H,28,33)(H,29,32)