4-[1-oxidanylidene-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-oxidanylidene-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-methyl-2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[1-oxo-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]oxybenzonitrile Traditional Name: 4-[2-keto-1-methyl-2-[4-(1-phenyltetrazol-5-yl)piperazino]ethoxy]benzonitrile Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N7O2/c1-16(30-19-9-7-17(15-22)8-10-19)20(29)26-11-13-27(14-12-26)21-23-24-25-28(21)18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3