5-(azepan-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 5-(azepan-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-(azepan-1-yl)-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-(1-azepanyl)-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-(azepan-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-(azepan-1-yl)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H22N4O2/c23-22(24)18-8-7-16(21-10-3-1-2-4-11-21)12-17(18)20-14-15-6-5-9-19-13-15/h5-9,12-13,20H,1-4,10-11,14H2