[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidino]-3-nitro-phenyl]-phenyl-methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2CCCN(C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1C2CCCN(C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-24-14-22-23-21(24)17-8-5-11-25(13-17)18-10-9-16(12-19(18)26(28)29)20(27)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3