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

Systemtic Name: ethyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxidanylidene-phthalazin-2-yl]pentanoate Openeye Name: ethyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxo-phthalazin-2-yl]pentanoate CAS Name: 2-[4-[(1-methyl-3-indolyl)methyl]-1-oxo-2-phthalazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]pentanoate Traditional Name: 2-[1-keto-4-[(1-methylindol-3-yl)methyl]phthalazin-2-yl]valeric acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-4-10-23(25(30)31-5-2)28-24(29)20-13-7-6-12-19(20)21(26-28)15-17-16-27(3)22-14-9-8-11-18(17)22/h6-9,11-14,16,23H,4-5,10,15H2,1-3H3