N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-quinoline-2-carboxamide

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-quinoline-2-carboxamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-oxo-ethyl]-4-methoxy-quinoline-2-carboxamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-2-oxoethyl]-4-methoxy-2-quinolinecarboxamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)piperazino]-2-keto-ethyl]-4-methoxy-quinaldamide Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)14-20(28)26-9-11-27(12-10-26)21(29)15-24-22(30)18-13-19(31-4)16-7-5-6-8-17(16)25-18/h5-8,13H,9-12,14-15H2,1-4H3,(H,24,30)