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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanylpropyl)-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxypropyl)-4-oxo-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxypropyl)-6-(4-oxanylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxypropyl)-6-(oxan-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxypropyl)-4-keto-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=CC(=C3C(=C2)C(=O)C(=NN3)C(=O)NCC4=CC=C(C=C4)Cl)CCCO

Isomeric SMILES

C1COCCC1CC2=CC(=C3C(=C2)C(=O)C(=NN3)C(=O)NCC4=CC=C(C=C4)Cl)CCCO

InChI

InChI=1S/C25H28ClN3O4/c26-20-5-3-17(4-6-20)15-27-25(32)23-24(31)21-14-18(12-16-7-10-33-11-8-16)13-19(2-1-9-30)22(21)28-29-23/h3-6,13-14,16,30H,1-2,7-12,15H2,(H,27,32)(H,28,31)