ethyl 4-[3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-1-oxo-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H29N5O5/c1-4-32-22(31)27-11-9-26(10-12-27)21(30)19(14(2)3)23-18(28)13-17-15-7-5-6-8-16(15)20(29)25-24-17/h5-8,14,19H,4,9-13H2,1-3H3,(H,23,28)(H,25,29)