(3R)-1-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3R)-1-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3R)-1-[4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3R)-1-[[4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3R)-1-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3R)-1-[4-[(3S)-3-methylpiperidino]-3-nitro-benzoyl]-N-phenyl-nipecotamide 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)N3CCCC(C3)C(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCC[C@H](C3)C(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

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