[2-(azepan-1-yl)-5-nitro-phenyl]-phenyl-methanone

Systemtic Name: [2-(azepan-1-yl)-5-nitro-phenyl]-phenyl-methanone Openeye Name: [2-(azepan-1-yl)-5-nitro-phenyl]-phenyl-methanone CAS Name: [2-(1-azepanyl)-5-nitrophenyl]-phenylmethanone IUPAC Name: [2-(azepan-1-yl)-5-nitrophenyl]-phenylmethanone Traditional Name: [2-(azepan-1-yl)-5-nitro-phenyl]-phenyl-methanone Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3/c22-19(15-8-4-3-5-9-15)17-14-16(21(23)24)10-11-18(17)20-12-6-1-2-7-13-20/h3-5,8-11,14H,1-2,6-7,12-13H2