[4-(methylamino)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-19-16-3-2-15(12-17(16)23(25)26)18(24)22-10-8-21(9-11-22)13-14-4-6-20-7-5-14/h2-7,12,19H,8-11,13H2,1H3