N-[4-(azepan-1-yl)phenyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N6O3/c30-23(25-19-5-7-20(8-6-19)27-11-3-1-2-4-12-27)18-26-13-15-28(16-14-26)21-9-10-22(24-17-21)29(31)32/h5-10,17H,1-4,11-16,18H2,(H,25,30)