ethyl 4-[4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H29N5O5/c1-3-32-22(31)27-13-10-15(11-14-27)24-18(28)9-6-12-23-20(29)19-16-7-4-5-8-17(16)21(30)26(2)25-19/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,23,29)(H,24,28)