4-pyridin-3-ylbutyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-1-carboxylate

Systemtic Name: 4-pyridin-3-ylbutyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-1-carboxylate Openeye Name: 4-(3-pyridyl)butyl 2-(3,3-dimethyl-2-oxo-pentanoyl)hexahydropyridazine-1-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-1-diazinanecarboxylic acid 4-(3-pyridinyl)butyl ester IUPAC Name: 4-pyridin-3-ylbutyl 2-(3,3-dimethyl-2-oxopentanoyl)diazinane-1-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)hexahydropyridazine-1-carboxylic acid 4-(3-pyridyl)butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCN1C(=O)OCCCCC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCN1C(=O)OCCCCC2=CN=CC=C2

InChI

InChI=1S/C21H31N3O4/c1-4-21(2,3)18(25)19(26)23-13-6-7-14-24(23)20(27)28-15-8-5-10-17-11-9-12-22-16-17/h9,11-12,16H,4-8,10,13-15H2,1-3H3