N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-methyl-butanamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-methyl-butanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-3-methyl-N-sec-butyl-butanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-methylbutanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-methylbutanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-3-methyl-N-sec-butyl-butyramide Formula: C29H42BrN3O2 MolecularWeight: 544.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)CC(C)C

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)CC(C)C

InChI

InChI=1S/C29H42BrN3O2/c1-5-23(4)32(28(34)18-22(2)3)21-29(35)33(26-10-7-6-8-11-26)20-27-12-9-17-31(27)19-24-13-15-25(30)16-14-24/h9,12-17,22-23,26H,5-8,10-11,18-21H2,1-4H3