2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(4-nitrophenyl)propane-1,3-dione

Systemtic Name: 2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(4-nitrophenyl)propane-1,3-dione Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(5-bromo-2-oxo-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione CAS Name: 2-(5-bromo-2-oxo-1-pyridinyl)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-(4-nitrophenyl)propane-1,3-dione IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(5-bromo-2-oxopyridin-1-yl)-3-(4-nitrophenyl)propane-1,3-dione Traditional Name: 1-(4-benzhydrylpiperazino)-2-(5-bromo-2-keto-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione Formula: C31H27BrN4O5 MolecularWeight: 615.47388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N5C=C(C=CC5=O)Br

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N5C=C(C=CC5=O)Br

InChI

InChI=1S/C31H27BrN4O5/c32-25-13-16-27(37)35(21-25)29(30(38)24-11-14-26(15-12-24)36(40)41)31(39)34-19-17-33(18-20-34)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,28-29H,17-20H2