N-[(3-bromophenyl)methyl]-1-(5-cyanopyridin-2-yl)-N-cyclopropyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(5-cyanopyridin-2-yl)-N-cyclopropyl-piperidine-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridyl)-N-cyclopropyl-piperidine-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropyl-4-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(5-cyanopyridin-2-yl)-N-cyclopropylpiperidine-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(5-cyano-2-pyridyl)-N-cyclopropyl-isonipecotamide Formula: C22H23BrN4O MolecularWeight: 439.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC(=CC=C2)Br)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CC1N(CC2=CC(=CC=C2)Br)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H23BrN4O/c23-19-3-1-2-16(12-19)15-27(20-5-6-20)22(28)18-8-10-26(11-9-18)21-7-4-17(13-24)14-25-21/h1-4,7,12,14,18,20H,5-6,8-11,15H2