(phenylmethyl) 4-[1-(3-cyclopentyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)propylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-(3-cyclopentyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)propylcarbamoyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[1-(3-cyclopentyl-5-oxo-2H-1,2,4-triazin-6-yl)propylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[1-(3-cyclopentyl-5-oxo-2H-1,2,4-triazin-6-yl)propylamino]-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(3-cyclopentyl-5-oxo-2H-1,2,4-triazin-6-yl)propylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[1-(3-cyclopentyl-5-keto-2H-1,2,4-triazin-6-yl)propylcarbamoyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2CCCC2)NC(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2CCCC2)NC(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O4/c1-2-20(21-24(32)27-22(29-28-21)18-10-6-7-11-18)26-23(31)19-12-14-30(15-13-19)25(33)34-16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3,(H,26,31)(H,27,29,32)