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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O4/c1-31-20-7-4-18(5-8-20)17-24-12-14-26(15-13-24)23(28)21-16-19(27(29)30)6-9-22(21)25-10-2-3-11-25/h4-9,16H,2-3,10-15,17H2,1H3