[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C23H21N7O3 MolecularWeight: 443.45794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H21N7O3/c31-23(28-13-11-27(12-14-28)19-9-10-22(24-15-19)30(32)33)18-7-5-17(6-8-18)16-29-21-4-2-1-3-20(21)25-26-29/h1-10,15H,11-14,16H2