1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(5-bromo-2-pyridyl)piperazino]-3-(2-nitroanilino)propan-1-one Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN5O3/c19-14-5-6-17(21-13-14)22-9-11-23(12-10-22)18(25)7-8-20-15-3-1-2-4-16(15)24(26)27/h1-6,13,20H,7-12H2