ethyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]pentanoate

Systemtic Name: ethyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]pentanoate Openeye Name: ethyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]pentanoate CAS Name: 2-[4-[(1,4-dimethyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-oxophthalazin-2-yl]pentanoate Traditional Name: 2-[4-[(1,4-dimethylindol-3-yl)methyl]-1-keto-phthalazin-2-yl]valeric acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CN(C4=CC=CC(=C43)C)C

Isomeric SMILES

CCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CN(C4=CC=CC(=C43)C)C

InChI

InChI=1S/C26H29N3O3/c1-5-10-23(26(31)32-6-2)29-25(30)20-13-8-7-12-19(20)21(27-29)15-18-16-28(4)22-14-9-11-17(3)24(18)22/h7-9,11-14,16,23H,5-6,10,15H2,1-4H3