2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline

Systemtic Name: 2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitro-aniline CAS Name: 2-methyl-4-nitro-5-[4-(phenylmethyl)-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline Traditional Name: [5-(4-benzylpiperazino)-2-methyl-4-nitro-phenyl]amine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13,19H2,1H3