3,5-ditert-butyl-4-oxidanyl-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide hydrate

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide hydrate Openeye Name: 3,5-ditert-butyl-4-hydroxy-N-[3-(tetrazol-1-yl)phenyl]benzamide hydrate CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[3-(1-tetrazolyl)phenyl]benzamide hydrate IUPAC Name: 3,5-ditert-butyl-4-hydroxy-N-[3-(tetrazol-1-yl)phenyl]benzamide hydrate Traditional Name: 3,5-ditert-butyl-4-hydroxy-N-[3-(tetrazol-1-yl)phenyl]benzamide hydrate Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC=CC(=C2)N3C=NN=N3.O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC=CC(=C2)N3C=NN=N3.O

InChI

InChI=1S/C22H27N5O2.H2O/c1-21(2,3)17-10-14(11-18(19(17)28)22(4,5)6)20(29)24-15-8-7-9-16(12-15)27-13-23-25-26-27;/h7-13,28H,1-6H3,(H,24,29);1H2