1-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-oxo-3-propyl-phthalazine-1-carbonyl)-N-thiazol-2-yl-piperidine-4-carboxamide CAS Name: 1-[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]-N-(2-thiazolyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-oxo-3-propylphthalazine-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-propyl-phthalazine-1-carbonyl)-N-thiazol-2-yl-isonipecotamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=NC=CS4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H23N5O3S/c1-2-10-26-19(28)16-6-4-3-5-15(16)17(24-26)20(29)25-11-7-14(8-12-25)18(27)23-21-22-9-13-30-21/h3-6,9,13-14H,2,7-8,10-12H2,1H3,(H,22,23,27)