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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-1-(oxan-3-yl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(morpholinomethyl)-4-oxo-1-tetrahydropyran-3-yl-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-morpholinylmethyl)-1-(3-oxanyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-1-(oxan-3-yl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-(morpholinomethyl)-1-tetrahydropyran-3-yl-cinnoline-3-carboxamide Formula: C26H29ClN4O4 MolecularWeight: 496.98586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(COC1)N2C3=C(C=C(C=C3)CN4CCOCC4)C(=O)C(=N2)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(COC1)N2C3=C(C=C(C=C3)CN4CCOCC4)C(=O)C(=N2)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN4O4/c27-20-6-3-18(4-7-20)15-28-26(33)24-25(32)22-14-19(16-30-9-12-34-13-10-30)5-8-23(22)31(29-24)21-2-1-11-35-17-21/h3-8,14,21H,1-2,9-13,15-17H2,(H,28,33)