[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-2-32-21-8-5-19(6-9-21)18-25-13-15-27(16-14-25)24(29)20-7-10-22(23(17-20)28(30)31)26-11-3-4-12-26/h5-10,17H,2-4,11-16,18H2,1H3