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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-heptanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-sec-butyl-heptanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylheptanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylheptanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-sec-butyl-enanthamide Formula: C31H46BrN3O2 MolecularWeight: 572.61984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46BrN3O2/c1-4-6-7-11-16-30(36)34(25(3)5-2)24-31(37)35(28-13-9-8-10-14-28)23-29-15-12-21-33(29)22-26-17-19-27(32)20-18-26/h12,15,17-21,25,28H,4-11,13-14,16,22-24H2,1-3H3