1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(5-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(5-nitropyridin-2-yl)piperazine Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-4-(5-nitro-2-pyridyl)piperazine CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-(5-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazine Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-4-(5-nitro-2-pyridyl)piperazine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-14-3-5-17(25-2)15(11-14)13-20-7-9-21(10-8-20)18-6-4-16(12-19-18)22(23)24/h3-6,11-12H,7-10,13H2,1-2H3