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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-pentyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-pentyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-pentylbenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-pentylbenzamide Traditional Name: N-amyl-N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]benzamide Formula: C30H38BrN3O2 MolecularWeight: 552.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N(CCCC)CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(CC(=O)N(CCCC)CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H38BrN3O2/c1-3-5-10-20-34(30(36)26-12-8-7-9-13-26)24-29(35)33(19-6-4-2)23-28-14-11-21-32(28)22-25-15-17-27(31)18-16-25/h7-9,11-18,21H,3-6,10,19-20,22-24H2,1-2H3