3-[(2-oxidanyl-3-piperidin-1-ylcarbonyl-phenyl)amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2-oxidanyl-3-piperidin-1-ylcarbonyl-phenyl)amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-anilino-4-[2-hydroxy-3-(piperidine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[2-hydroxy-3-[oxo(1-piperidinyl)methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-[2-hydroxy-3-(piperidine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-[2-hydroxy-3-(piperidine-1-carbonyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C22H21N3O4/c26-19-15(22(29)25-12-5-2-6-13-25)10-7-11-16(19)24-18-17(20(27)21(18)28)23-14-8-3-1-4-9-14/h1,3-4,7-11,23-24,26H,2,5-6,12-13H2