[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN5O3/c20-14-2-6-18(21-12-14)23-7-9-24(10-8-23)19(26)13-1-5-16(22-15-3-4-15)17(11-13)25(27)28/h1-2,5-6,11-12,15,22H,3-4,7-10H2