1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone

Systemtic Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone Openeye Name: 1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone CAS Name: 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-[4-(1-pyrrolyl)phenyl]ethanone IUPAC Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone Traditional Name: 1-[4-(6-nitro-3-pyridyl)piperazino]-2-(4-pyrrol-1-ylphenyl)ethanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-21(15-17-3-5-18(6-4-17)23-9-1-2-10-23)25-13-11-24(12-14-25)19-7-8-20(22-16-19)26(28)29/h1-10,16H,11-15H2