N-(4-methoxy-2-nitro-phenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-3-[4-(2-phenoxyethyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-3-[4-(2-phenoxyethyl)piperazino]propionamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCN2CCN(CC2)CCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCN2CCN(CC2)CCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5/c1-30-19-7-8-20(21(17-19)26(28)29)23-22(27)9-10-24-11-13-25(14-12-24)15-16-31-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,23,27)