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

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-piperidino-methanone Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3/c22-18(20-12-6-3-7-13-20)15-8-9-16(17(14-15)21(23)24)19-10-4-1-2-5-11-19/h8-9,14H,1-7,10-13H2