methyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]-2-phenyl-acetate CAS Name: 2-[4-[(1,4-dimethyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxophthalazin-2-yl]-2-phenylacetate Traditional Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-keto-phthalazin-2-yl]-2-phenyl-acetic acid methyl ester Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)C(C5=CC=CC=C5)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CC3=NN(C(=O)C4=CC=CC=C43)C(C5=CC=CC=C5)C(=O)OC)C

InChI

InChI=1S/C28H25N3O3/c1-18-10-9-15-24-25(18)20(17-30(24)2)16-23-21-13-7-8-14-22(21)27(32)31(29-23)26(28(33)34-3)19-11-5-4-6-12-19/h4-15,17,26H,16H2,1-3H3