ethyl 1-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S/c1-2-27-21(26)15-9-11-23(12-10-15)14-24-20(25)17-7-4-3-6-16(17)19(22-24)18-8-5-13-28-18/h3-8,13,15H,2,9-12,14H2,1H3