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

Systemtic Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone Openeye Name: (4-benzyloxy-1-piperidyl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-(4-phenylmethoxy-1-piperidinyl)methanone IUPAC Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone Traditional Name: (4-benzoxypiperidino)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c27-21(17-6-7-19(20(12-17)26(28)29)25-15-22-14-23-25)24-10-8-18(9-11-24)30-13-16-4-2-1-3-5-16/h1-7,12,14-15,18H,8-11,13H2