4-[[4-[4-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]phthalazin-1-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-[2-(diethylamino)-2-oxidanylidene-ethoxy]phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-[4-[2-(diethylamino)-2-oxo-ethoxy]phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 4-[[4-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 4-[[4-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-[4-[2-(diethylamino)-2-keto-ethoxy]phenyl]phthalazin-1-yl]amino]benzamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C27H27N5O3/c1-3-32(4-2)24(33)17-35-21-15-11-18(12-16-21)25-22-7-5-6-8-23(22)27(31-30-25)29-20-13-9-19(10-14-20)26(28)34/h5-16H,3-4,17H2,1-2H3,(H2,28,34)(H,29,31)