N-(2-methoxy-5-nitro-phenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(2-keto-2-piperidino-ethyl)piperazino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C21H31N5O5/c1-16(21(28)22-18-14-17(26(29)30)6-7-19(18)31-2)24-12-10-23(11-13-24)15-20(27)25-8-4-3-5-9-25/h6-7,14,16H,3-5,8-13,15H2,1-2H3,(H,22,28)