3-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[5-chloro-2-(1-piperidyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[5-chloro-2-(1-piperidinyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(5-chloro-2-piperidin-1-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(5-chloro-2-piperidino-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C22H22ClN5O3/c23-14-8-9-18(27-10-4-1-5-11-27)17(12-14)25-19(29)13-28-22(31)16-7-3-2-6-15(16)20(26-28)21(24)30/h2-3,6-9,12H,1,4-5,10-11,13H2,(H2,24,30)(H,25,29)