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

Systemtic Name: N-cyclopropyl-4-fluoranyl-2-(methoxymethyl)-3-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-6-nitro-aniline Openeye Name: 3-(4-benzyl-3-methyl-piperazin-1-yl)-N-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-nitro-aniline CAS Name: N-cyclopropyl-4-fluoro-2-(methoxymethyl)-3-[3-methyl-4-(phenylmethyl)-1-piperazinyl]-6-nitroaniline IUPAC Name: 3-(4-benzyl-3-methylpiperazin-1-yl)-N-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-nitroaniline Traditional Name: [3-(4-benzyl-3-methyl-piperazino)-4-fluoro-2-(methoxymethyl)-6-nitro-phenyl]-cyclopropyl-amine Formula: C23H29FN4O3 MolecularWeight: 428.499763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C(=C3COC)NC4CC4)[N+](=O)[O-])F

Isomeric SMILES

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C(=C3COC)NC4CC4)[N+](=O)[O-])F

InChI

InChI=1S/C23H29FN4O3/c1-16-13-27(11-10-26(16)14-17-6-4-3-5-7-17)23-19(15-31-2)22(25-18-8-9-18)21(28(29)30)12-20(23)24/h3-7,12,16,18,25H,8-11,13-15H2,1-2H3