5-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2H-benzotriazol-5-yl(oxo)methyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(2H-benzotriazole-5-carbonyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C18H17N7O2 MolecularWeight: 363.37328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC5=NNN=C5C=C4)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC5=NNN=C5C=C4)C#N

InChI

InChI=1S/C18H17N7O2/c19-10-15-18(27-16(20-15)11-1-2-11)25-7-5-24(6-8-25)17(26)12-3-4-13-14(9-12)22-23-21-13/h3-4,9,11H,1-2,5-8H2,(H,21,22,23)