[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1-methyl-5-nitro-pyrazol-4-yl)methanone

Systemtic Name: [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1-methyl-5-nitro-pyrazol-4-yl)methanone Openeye Name: [4-[4-(3-bromophenyl)thiazol-2-yl]-1-piperidyl]-(1-methyl-5-nitro-pyrazol-4-yl)methanone CAS Name: [4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-(1-methyl-5-nitro-4-pyrazolyl)methanone IUPAC Name: [4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(1-methyl-5-nitropyrazol-4-yl)methanone Traditional Name: [4-[4-(3-bromophenyl)thiazol-2-yl]piperidino]-(1-methyl-5-nitro-pyrazol-4-yl)methanone Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN5O3S/c1-23-18(25(27)28)15(10-21-23)19(26)24-7-5-12(6-8-24)17-22-16(11-29-17)13-3-2-4-14(20)9-13/h2-4,9-12H,5-8H2,1H3