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

Systemtic Name: methyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]-2-phenyl-acetate CAS Name: 2-[4-[(1-methyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]-2-phenylacetate Traditional Name: 2-[1-keto-4-[(1-methylindol-3-yl)methyl]phthalazin-2-yl]-2-phenyl-acetic acid methyl ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3=NN(C(=O)C4=CC=CC=C43)C(C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3=NN(C(=O)C4=CC=CC=C43)C(C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C27H23N3O3/c1-29-17-19(20-12-8-9-15-24(20)29)16-23-21-13-6-7-14-22(21)26(31)30(28-23)25(27(32)33-2)18-10-4-3-5-11-18/h3-15,17,25H,16H2,1-2H3