2-[6,6-dimethyl-3-(4-methyl-2-oxidanyl-phenyl)-1,4-diazepin-2-yl]-5-methyl-phenol

Systemtic Name: 2-[6,6-dimethyl-3-(4-methyl-2-oxidanyl-phenyl)-1,4-diazepin-2-yl]-5-methyl-phenol Openeye Name: 2-[3-(2-hydroxy-4-methyl-phenyl)-6,6-dimethyl-1,4-diazepin-2-yl]-5-methyl-phenol CAS Name: 2-[3-(2-hydroxy-4-methylphenyl)-6,6-dimethyl-1,4-diazepin-2-yl]-5-methylphenol IUPAC Name: 2-[3-(2-hydroxy-4-methylphenyl)-6,6-dimethyl-1,4-diazepin-2-yl]-5-methylphenol Traditional Name: 2-[3-(2-hydroxy-4-methyl-phenyl)-6,6-dimethyl-1,4-diazepin-2-yl]-5-methyl-phenol Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(N=CC(C=N2)(C)C)C3=C(C=C(C=C3)C)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(N=CC(C=N2)(C)C)C3=C(C=C(C=C3)C)O)O

InChI

InChI=1S/C21H22N2O2/c1-13-5-7-15(17(24)9-13)19-20(23-12-21(3,4)11-22-19)16-8-6-14(2)10-18(16)25/h5-12,24-25H,1-4H3