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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-2-phenyl-N-propan-2-yl-butanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-isopropyl-2-phenyl-butanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-isopropyl-2-phenyl-butyramide Formula: C33H42BrN3O2 MolecularWeight: 592.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4)C(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4)C(C)C

InChI

InChI=1S/C33H42BrN3O2/c1-4-31(27-12-7-5-8-13-27)33(39)36(25(2)3)24-32(38)37(29-14-9-6-10-15-29)23-30-16-11-21-35(30)22-26-17-19-28(34)20-18-26/h5,7-8,11-13,16-21,25,29,31H,4,6,9-10,14-15,22-24H2,1-3H3