methyl 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C22H29N5O5/c1-4-20(28)26(18-8-6-5-7-9-18)22(21(29)32-3)10-12-24(13-11-22)14-15-25-17(2)23-16-19(25)27(30)31/h5-9,16H,4,10-15H2,1-3H3