N-(2-methyl-3-nitro-phenyl)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide Traditional Name: 3-[4-(2-keto-2-piperidino-ethyl)piperazino]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C21H31N5O4/c1-17-18(6-5-7-19(17)26(29)30)22-20(27)8-11-23-12-14-24(15-13-23)16-21(28)25-9-3-2-4-10-25/h5-7H,2-4,8-16H2,1H3,(H,22,27)