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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-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-yl-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(4-oxanyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(oxan-4-yl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC3=C(C(=C2)C#CCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCC1C2=CC3=C(C(=C2)C#CCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O4/c26-20-6-4-16(5-7-20)15-27-25(32)23-24(31)21-14-19(17-8-11-33-12-9-17)13-18(3-1-2-10-30)22(21)28-29-23/h4-7,13-14,17,30H,2,8-12,15H2,(H,27,32)(H,28,31)