N-[2-azanyl-3-[4-azanyl-3,5-bis(bromanyl)phenyl]propanoyl]-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]-4-(2-chlorophenyl)piperazine-1-carboxamide

Systemtic Name: N-[2-azanyl-3-[4-azanyl-3,5-bis(bromanyl)phenyl]propanoyl]-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]-4-(2-chlorophenyl)piperazine-1-carboxamide Openeye Name: N-[2-amino-3-(4-amino-3,5-dibromo-phenyl)propanoyl]-N-[5-amino-1-[4-(4-pyridyl)piperidine-1-carbonyl]pentyl]-4-(2-chlorophenyl)piperazine-1-carboxamide CAS Name: N-[2-amino-3-(4-amino-3,5-dibromophenyl)-1-oxopropyl]-N-[6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperidinyl)hexan-2-yl]-4-(2-chlorophenyl)-1-piperazinecarboxamide IUPAC Name: N-[2-amino-3-(4-amino-3,5-dibromophenyl)propanoyl]-N-[6-amino-1-oxo-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]-4-(2-chlorophenyl)piperazine-1-carboxamide Traditional Name: N-[2-amino-3-(4-amino-3,5-dibromo-phenyl)propanoyl]-N-[5-amino-1-[4-(4-pyridyl)piperidine-1-carbonyl]pentyl]-4-(2-chlorophenyl)piperazine-1-carboxamide Formula: C36H45Br2ClN8O3 MolecularWeight: 833.0553

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)N)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)N)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C36H45Br2ClN8O3/c37-27-21-24(22-28(38)33(27)42)23-30(41)34(48)47(36(50)46-19-17-44(18-20-46)31-6-2-1-5-29(31)39)32(7-3-4-12-40)35(49)45-15-10-26(11-16-45)25-8-13-43-14-9-25/h1-2,5-6,8-9,13-14,21-22,26,30,32H,3-4,7,10-12,15-20,23,40-42H2