1-[[3-(4-bromophenyl)cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-[[3-(4-bromophenyl)cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-[[3-(4-bromophenyl)cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide CAS Name: 1-[[3-(4-bromophenyl)cyclohexyl]methyl]-N-butyl-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-[[3-(4-bromophenyl)cyclohexyl]methyl]-N-butyl-2-methylpyrrole-3-carboxamide Traditional Name: 1-[[3-(4-bromophenyl)cyclohexyl]methyl]-N-butyl-2-methyl-pyrrole-3-carboxamide Formula: C23H31BrN2O MolecularWeight: 431.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C=C1)CC2CCCC(C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C=C1)CC2CCCC(C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C23H31BrN2O/c1-3-4-13-25-23(27)22-12-14-26(17(22)2)16-18-6-5-7-20(15-18)19-8-10-21(24)11-9-19/h8-12,14,18,20H,3-7,13,15-16H2,1-2H3,(H,25,27)