tert-butyl 3-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoate

Systemtic Name: tert-butyl 3-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]propanoate Openeye Name: tert-butyl 3-[4-[(1-methylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]propanoate CAS Name: 3-[4-[(1-methyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]propanoate Traditional Name: 3-[1-keto-4-[(1-methylindol-3-yl)methyl]phthalazin-2-yl]propionic acid tert-butyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C25H27N3O3/c1-25(2,3)31-23(29)13-14-28-24(30)20-11-6-5-10-19(20)21(26-28)15-17-16-27(4)22-12-8-7-9-18(17)22/h5-12,16H,13-15H2,1-4H3