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

Systemtic Name: 3-nitro-4-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]benzamide CAS Name: 3-nitro-4-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-N-propan-2-ylbenzamide IUPAC Name: 3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazino]benzamide Formula: C21H24N8O3 MolecularWeight: 436.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N8O3/c1-15(2)22-20(30)16-8-9-18(19(14-16)29(31)32)26-10-12-27(13-11-26)21-23-24-25-28(21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H,22,30)