azepan-1-yl-[1-(3-methyl-2-nitro-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(3-methyl-2-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3-methyl-2-nitro-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(3-methyl-2-nitrophenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-methyl-2-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3-methyl-2-nitro-benzoyl)-4-piperidyl]methanone Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4/c1-15-7-6-8-17(18(15)23(26)27)20(25)22-13-9-16(10-14-22)19(24)21-11-4-2-3-5-12-21/h6-8,16H,2-5,9-14H2,1H3