N-[2-(azepan-1-yl)phenyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c29-22(24-19-7-3-4-8-20(19)26-11-5-1-2-6-12-26)27-15-13-25(14-16-27)18-9-10-21(23-17-18)28(30)31/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,24,29)