1-methyl-4-[4-methyl-5-nitro-1-(phenylmethyl)imidazol-2-yl]piperazine

Systemtic Name: 1-methyl-4-[4-methyl-5-nitro-1-(phenylmethyl)imidazol-2-yl]piperazine Openeye Name: 1-(1-benzyl-4-methyl-5-nitro-imidazol-2-yl)-4-methyl-piperazine CAS Name: 1-methyl-4-[4-methyl-5-nitro-1-(phenylmethyl)-2-imidazolyl]piperazine IUPAC Name: 1-(1-benzyl-4-methyl-5-nitroimidazol-2-yl)-4-methylpiperazine Traditional Name: 1-(1-benzyl-4-methyl-5-nitro-imidazol-2-yl)-4-methyl-piperazine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)N2CCN(CC2)C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(C(=N1)N2CCN(CC2)C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-13-15(21(22)23)20(12-14-6-4-3-5-7-14)16(17-13)19-10-8-18(2)9-11-19/h3-7H,8-12H2,1-2H3