N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,3-dimethyl-butanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,3-dimethyl-butanamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,3-dimethyl-butanamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-3,3-dimethylbutanamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,3-dimethylbutanamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-3,3-dimethyl-butyramide Formula: C22H31BrN2O MolecularWeight: 419.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CC(C)(C)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CC(C)(C)C

InChI

InChI=1S/C22H31BrN2O/c1-5-6-13-25(21(26)15-22(2,3)4)17-20-8-7-14-24(20)16-18-9-11-19(23)12-10-18/h7-12,14H,5-6,13,15-17H2,1-4H3