ethyl (3S)-1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-benzyl-4-oxo-phthalazine-1-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-benzyl-4-oxophthalazine-1-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-benzyl-4-keto-phthalazine-1-carbonyl)nipecotic acid ethyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-2-31-24(30)18-11-8-14-26(16-18)23(29)21-19-12-6-7-13-20(19)22(28)27(25-21)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3/t18-/m0/s1