N-[(2R)-2-benzamidocyclohexyl]-1-(3-bromophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-(3-bromophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-(3-bromobenzoyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(3-bromophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-(3-bromobenzoyl)piperidine-4-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-(3-bromobenzoyl)isonipecotamide Formula: C26H30BrN3O3 MolecularWeight: 512.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H30BrN3O3/c27-21-10-6-9-20(17-21)26(33)30-15-13-19(14-16-30)25(32)29-23-12-5-4-11-22(23)28-24(31)18-7-2-1-3-8-18/h1-3,6-10,17,19,22-23H,4-5,11-16H2,(H,28,31)(H,29,32)/t22-,23?/m1/s1