[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[5-nitro-2-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone Traditional Name: (5-nitro-2-pyrrolidino-phenyl)-(4-o-phenetylpiperazino)methanone Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-2-31-22-8-4-3-7-21(22)25-13-15-26(16-14-25)23(28)19-17-18(27(29)30)9-10-20(19)24-11-5-6-12-24/h3-4,7-10,17H,2,5-6,11-16H2,1H3