N-(4-bromanyl-3-methyl-phenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(m-tolylmethyl)piperidine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(3-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(3-methylbenzyl)nipecotamide Formula: C21H25BrN2O MolecularWeight: 401.34

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O/c1-15-5-3-6-17(11-15)13-24-10-4-7-18(14-24)21(25)23-19-8-9-20(22)16(2)12-19/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3,(H,23,25)