[3-nitro-4-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazino]phenyl]-phenyl-methanone Formula: C24H21N7O3 MolecularWeight: 455.46864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H21N7O3/c32-23(18-7-3-1-4-8-18)19-11-12-21(22(17-19)31(33)34)28-13-15-29(16-14-28)24-25-26-27-30(24)20-9-5-2-6-10-20/h1-12,17H,13-16H2