ethyl 4-[(3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(4-keto-3H-phthalazine-1-carbonyl)-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H27N5O4/c1-2-30-21(29)25-12-10-24(11-13-25)15-6-5-9-26(14-15)20(28)18-16-7-3-4-8-17(16)19(27)23-22-18/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,23,27)/t15-/m0/s1