azepan-1-yl-[1-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(5-nitro-2-pyrrolidin-1-yl-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(5-nitro-2-pyrrolidin-1-ylbenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(5-nitro-2-pyrrolidino-benzoyl)-4-piperidyl]methanone Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H32N4O4/c28-22(25-13-3-1-2-4-14-25)18-9-15-26(16-10-18)23(29)20-17-19(27(30)31)7-8-21(20)24-11-5-6-12-24/h7-8,17-18H,1-6,9-16H2