azepan-1-yl-[1-[2-nitro-4-(phenylcarbonyl)phenyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[2-nitro-4-(phenylcarbonyl)phenyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-benzoyl-2-nitro-phenyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-(4-benzoyl-2-nitrophenyl)-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(4-benzoyl-2-nitrophenyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-benzoyl-2-nitro-phenyl)-4-piperidyl]methanone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4/c29-24(19-8-4-3-5-9-19)21-10-11-22(23(18-21)28(31)32)26-16-12-20(13-17-26)25(30)27-14-6-1-2-7-15-27/h3-5,8-11,18,20H,1-2,6-7,12-17H2