[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-phenyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2-phenyl-4-triazolyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(2-phenyltriazol-4-yl)methanone Formula: C19H17ClN6O3 MolecularWeight: 412.82968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H17ClN6O3/c20-14-6-7-17(18(12-14)26(28)29)23-8-10-24(11-9-23)19(27)16-13-21-25(22-16)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2