N-[1-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylpiperidin-4-yl]benzamide

Systemtic Name: N-[1-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylpiperidin-4-yl]benzamide Openeye Name: N-[1-[4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoyl]-4-piperidyl]benzamide CAS Name: N-[1-[[4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]-oxomethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[4-[(3S)-3-methylpiperidino]-3-nitro-benzoyl]-4-piperidyl]benzamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O4/c1-18-6-5-13-28(17-18)22-10-9-20(16-23(22)29(32)33)25(31)27-14-11-21(12-15-27)26-24(30)19-7-3-2-4-8-19/h2-4,7-10,16,18,21H,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m0/s1