N-[3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-benzamido-piperidine-1-carboxamide

Systemtic Name: N-[3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-benzamido-piperidine-1-carboxamide Openeye Name: N-[1-[(4-amino-3,5-dibromo-phenyl)methyl]-2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]-4-benzamido-piperidine-1-carboxamide CAS Name: N-[3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)propan-2-yl]-4-benzamido-1-piperidinecarboxamide IUPAC Name: N-[3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-benzamidopiperidine-1-carboxamide Traditional Name: N-[1-(4-amino-3,5-dibromo-benzyl)-2-keto-2-[4-(4-pyridyl)piperazino]ethyl]-4-benzamido-piperidine-1-carboxamide Formula: C31H35Br2N7O3 MolecularWeight: 713.4627

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC(=C(C(=C3)Br)N)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC(=C(C(=C3)Br)N)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C31H35Br2N7O3/c32-25-18-21(19-26(33)28(25)34)20-27(30(42)39-16-14-38(15-17-39)24-6-10-35-11-7-24)37-31(43)40-12-8-23(9-13-40)36-29(41)22-4-2-1-3-5-22/h1-7,10-11,18-19,23,27H,8-9,12-17,20,34H2,(H,36,41)(H,37,43)