methyl 3-(1-ethanoylindol-3-yl)-2,2-dimethyl-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate

Systemtic Name: methyl 3-(1-ethanoylindol-3-yl)-2,2-dimethyl-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate Openeye Name: methyl 3-(1-acetylindol-3-yl)-2,2-dimethyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate CAS Name: 3-(1-acetyl-3-indolyl)-2,2-dimethyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(1-acetylindol-3-yl)-2,2-dimethyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate Traditional Name: 3-(1-acetylindol-3-yl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]-2,2-dimethyl-propionic acid methyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C)(C)C(=O)OC)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C)(C)C(=O)OC)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C27H31N5O4/c1-17(33)32-16-21(18-10-7-8-13-22(18)32)23(27(2,3)26(35)36-4)28-14-9-15-29-24-19-11-5-6-12-20(19)25(34)31-30-24/h5-8,10-13,16,23,28H,9,14-15H2,1-4H3,(H,29,30)(H,31,34)