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

Systemtic Name: ethyl 4-[4-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-4-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]butyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C26H37N5O5/c1-3-5-8-16-31-25(34)21-11-7-6-10-20(21)23(29-31)24(33)27-15-9-12-22(32)28-19-13-17-30(18-14-19)26(35)36-4-2/h6-7,10-11,19H,3-5,8-9,12-18H2,1-2H3,(H,27,33)(H,28,32)