[4-(azepan-1-yl)-3-nitro-phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(3S)-3-methylpiperidino]methanone Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O3/c1-15-7-6-12-21(14-15)19(23)16-8-9-17(18(13-16)22(24)25)20-10-4-2-3-5-11-20/h8-9,13,15H,2-7,10-12,14H2,1H3/t15-/m0/s1