N-cyclopropyl-4-fluoranyl-2-(methoxymethyl)-6-nitro-3-[4-(phenylmethyl)piperazin-1-yl]aniline

Systemtic Name: N-cyclopropyl-4-fluoranyl-2-(methoxymethyl)-6-nitro-3-[4-(phenylmethyl)piperazin-1-yl]aniline Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-nitro-aniline CAS Name: N-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-nitro-3-[4-(phenylmethyl)-1-piperazinyl]aniline IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-nitroaniline Traditional Name: [3-(4-benzylpiperazino)-4-fluoro-2-(methoxymethyl)-6-nitro-phenyl]-cyclopropyl-amine Formula: C22H27FN4O3 MolecularWeight: 414.473183

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=CC(=C1N2CCN(CC2)CC3=CC=CC=C3)F)[N+](=O)[O-])NC4CC4

Isomeric SMILES

COCC1=C(C(=CC(=C1N2CCN(CC2)CC3=CC=CC=C3)F)[N+](=O)[O-])NC4CC4

InChI

InChI=1S/C22H27FN4O3/c1-30-15-18-21(24-17-7-8-17)20(27(28)29)13-19(23)22(18)26-11-9-25(10-12-26)14-16-5-3-2-4-6-16/h2-6,13,17,24H,7-12,14-15H2,1H3