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

Systemtic Name: N-cyclopropyl-4-fluoranyl-2-methyl-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-methyl-6-nitro-aniline CAS Name: N-cyclopropyl-4-fluoro-2-methyl-3-[3-methyl-4-(phenylmethyl)-1-piperazinyl]-6-nitroaniline IUPAC Name: 3-(4-benzyl-3-methylpiperazin-1-yl)-N-cyclopropyl-4-fluoro-2-methyl-6-nitroaniline Traditional Name: [3-(4-benzyl-3-methyl-piperazino)-4-fluoro-2-methyl-6-nitro-phenyl]-cyclopropyl-amine Formula: C22H27FN4O2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C(=C3C)NC4CC4)[N+](=O)[O-])F

Isomeric SMILES

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C(=C3C)NC4CC4)[N+](=O)[O-])F

InChI

InChI=1S/C22H27FN4O2/c1-15-13-26(11-10-25(15)14-17-6-4-3-5-7-17)22-16(2)21(24-18-8-9-18)20(27(28)29)12-19(22)23/h3-7,12,15,18,24H,8-11,13-14H2,1-2H3