1-[(3-methylphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazine Openeye Name: 1-(m-tolylmethyl)-4-(5-nitro-2-pyridyl)piperazine CAS Name: 1-[(3-methylphenyl)methyl]-4-(5-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazine Traditional Name: 1-(3-methylbenzyl)-4-(5-nitro-2-pyridyl)piperazine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-14-3-2-4-15(11-14)13-19-7-9-20(10-8-19)17-6-5-16(12-18-17)21(22)23/h2-6,11-12H,7-10,13H2,1H3