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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-oxanylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-(tetrahydropyran-4-ylmethyl)-1H-cinnoline-3-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c23-17-4-1-15(2-5-17)13-24-22(28)20-21(27)18-12-16(3-6-19(18)25-26-20)11-14-7-9-29-10-8-14/h1-6,12,14H,7-11,13H2,(H,24,28)(H,25,27)