2-azanyl-N-[6-azanyl-2,3-bis(bromanyl)-1-oxidanylidene-1-(1-pyridin-4-ylpiperazin-2-yl)hexan-2-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: 2-azanyl-N-[6-azanyl-2,3-bis(bromanyl)-1-oxidanylidene-1-(1-pyridin-4-ylpiperazin-2-yl)hexan-2-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: 2-amino-N-[5-amino-1,2-dibromo-1-[1-(4-pyridyl)piperazine-2-carbonyl]pentyl]-3-(4-hydroxyphenyl)propanamide CAS Name: 2-amino-N-[6-amino-2,3-dibromo-1-oxo-1-(1-pyridin-4-yl-2-piperazinyl)hexan-2-yl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: 2-amino-N-[6-amino-2,3-dibromo-1-oxo-1-(1-pyridin-4-ylpiperazin-2-yl)hexan-2-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: 2-amino-N-[5-amino-1,2-dibromo-1-[1-(4-pyridyl)piperazine-2-carbonyl]pentyl]-3-(4-hydroxyphenyl)propionamide Formula: C24H32Br2N6O3 MolecularWeight: 612.35728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)C(C(CCCN)Br)(NC(=O)C(CC2=CC=C(C=C2)O)N)Br)C3=CC=NC=C3

Isomeric SMILES

C1CN(C(CN1)C(=O)C(C(CCCN)Br)(NC(=O)C(CC2=CC=C(C=C2)O)N)Br)C3=CC=NC=C3

InChI

InChI=1S/C24H32Br2N6O3/c25-21(2-1-9-27)24(26,31-23(35)19(28)14-16-3-5-18(33)6-4-16)22(34)20-15-30-12-13-32(20)17-7-10-29-11-8-17/h3-8,10-11,19-21,30,33H,1-2,9,12-15,27-28H2,(H,31,35)