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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-4-tert-butyl-N-propyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-4-tert-butyl-N-propyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-4-tert-butyl-N-propylbenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-4-tert-butyl-N-propylbenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-4-tert-butyl-N-propyl-benzamide Formula: C34H44BrN3O2 MolecularWeight: 606.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C34H44BrN3O2/c1-5-21-37(33(40)27-15-17-28(18-16-27)34(2,3)4)25-32(39)38(30-10-7-6-8-11-30)24-31-12-9-22-36(31)23-26-13-19-29(35)20-14-26/h9,12-20,22,30H,5-8,10-11,21,23-25H2,1-4H3