methyl 4-[3-[3-(1-azanylethenylamino)propyl]-2-(methylcarbamoyl)-4-oxidanylidene-azetidin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: methyl 4-[3-[3-(1-azanylethenylamino)propyl]-2-(methylcarbamoyl)-4-oxidanylidene-azetidin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: methyl 4-[3-[3-(1-aminovinylamino)propyl]-2-(methylcarbamoyl)-4-oxo-azetidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[3-(1-aminoethenylamino)propyl]-2-(methylcarbamoyl)-4-oxo-1-azetidinyl]-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[3-(1-aminoethenylamino)propyl]-2-(methylcarbamoyl)-4-oxoazetidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(1-aminovinylamino)propyl]-2-keto-4-(methylcarbamoyl)azetidine-1-carbonyl]piperazine-1-carboxylic acid methyl ester Formula: C17H28N6O5 MolecularWeight: 396.44142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(=O)N1C(=O)N2CCN(CC2)C(=O)OC)CCCNC(=C)N

Isomeric SMILES

CNC(=O)C1C(C(=O)N1C(=O)N2CCN(CC2)C(=O)OC)CCCNC(=C)N

InChI

InChI=1S/C17H28N6O5/c1-11(18)20-6-4-5-12-13(14(24)19-2)23(15(12)25)16(26)21-7-9-22(10-8-21)17(27)28-3/h12-13,20H,1,4-10,18H2,2-3H3,(H,19,24)