N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-butyl-butanamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-butyl-butanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-butyl-butanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-butylbutanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-butylbutanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-N-butyl-butyramide Formula: C26H38BrN3O2 MolecularWeight: 504.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCC)C(=O)CCC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCCC)C(=O)CCC

InChI

InChI=1S/C26H38BrN3O2/c1-4-7-16-29(26(32)21-30(17-8-5-2)25(31)10-6-3)20-24-11-9-18-28(24)19-22-12-14-23(27)15-13-22/h9,11-15,18H,4-8,10,16-17,19-21H2,1-3H3