N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-tert-butyl-N-prop-2-enyl-benzamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-tert-butyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-tert-butyl-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-4-tert-butyl-N-prop-2-enylbenzamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-tert-butyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-4-tert-butyl-benzamide Formula: C26H29BrN2O MolecularWeight: 465.42526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H29BrN2O/c1-5-16-29(25(30)21-10-12-22(13-11-21)26(2,3)4)19-24-7-6-17-28(24)18-20-8-14-23(27)15-9-20/h5-15,17H,1,16,18-19H2,2-4H3