[5-nitro-2-(pyridin-4-ylamino)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [5-nitro-2-(pyridin-4-ylamino)phenyl]-piperidin-1-yl-methanone Openeye Name: [5-nitro-2-(4-pyridylamino)phenyl]-(1-piperidyl)methanone CAS Name: [5-nitro-2-(pyridin-4-ylamino)phenyl]-(1-piperidinyl)methanone IUPAC Name: [5-nitro-2-(pyridin-4-ylamino)phenyl]-piperidin-1-ylmethanone Traditional Name: [5-nitro-2-(4-pyridylamino)phenyl]-piperidino-methanone Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC=NC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC=NC=C3

InChI

InChI=1S/C17H18N4O3/c22-17(20-10-2-1-3-11-20)15-12-14(21(23)24)4-5-16(15)19-13-6-8-18-9-7-13/h4-9,12H,1-3,10-11H2,(H,18,19)