4-chloranyl-N-[2-morpholin-4-yl-5-[4-oxidanylidene-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-yl]phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-morpholin-4-yl-5-[4-oxidanylidene-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-yl]phenyl]benzamide Openeye Name: 4-chloro-N-[2-morpholino-5-[4-oxo-3-[2-oxo-2-(1-piperidyl)ethyl]phthalazin-1-yl]phenyl]benzamide CAS Name: 4-chloro-N-[2-(4-morpholinyl)-5-[4-oxo-3-[2-oxo-2-(1-piperidinyl)ethyl]-1-phthalazinyl]phenyl]benzamide IUPAC Name: 4-chloro-N-[2-morpholin-4-yl-5-[4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-yl]phenyl]benzamide Traditional Name: 4-chloro-N-[5-[4-keto-3-(2-keto-2-piperidino-ethyl)phthalazin-1-yl]-2-morpholino-phenyl]benzamide Formula: C32H32ClN5O4 MolecularWeight: 586.08058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)N5CCOCC5)NC(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)N5CCOCC5)NC(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C32H32ClN5O4/c33-24-11-8-22(9-12-24)31(40)34-27-20-23(10-13-28(27)36-16-18-42-19-17-36)30-25-6-2-3-7-26(25)32(41)38(35-30)21-29(39)37-14-4-1-5-15-37/h2-3,6-13,20H,1,4-5,14-19,21H2,(H,34,40)