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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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