(2Z)-2-[7-(4-methoxyphenyl)-1,4-diazepan-5-ylidene]-1-(4-methyl-2-oxidanyl-phenyl)ethanone

Systemtic Name: (2Z)-2-[7-(4-methoxyphenyl)-1,4-diazepan-5-ylidene]-1-(4-methyl-2-oxidanyl-phenyl)ethanone Openeye Name: (2Z)-1-(2-hydroxy-4-methyl-phenyl)-2-[7-(4-methoxyphenyl)-1,4-diazepan-5-ylidene]ethanone CAS Name: (2Z)-1-(2-hydroxy-4-methylphenyl)-2-[7-(4-methoxyphenyl)-1,4-diazepan-5-ylidene]ethanone IUPAC Name: (2Z)-1-(2-hydroxy-4-methylphenyl)-2-[7-(4-methoxyphenyl)-1,4-diazepan-5-ylidene]ethanone Traditional Name: (2Z)-1-(2-hydroxy-4-methyl-phenyl)-2-[7-(4-methoxyphenyl)-1,4-diazepan-5-ylidene]ethanone Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C=C2CC(NCCN2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)/C=C\2/CC(NCCN2)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H24N2O3/c1-14-3-8-18(20(24)11-14)21(25)13-16-12-19(23-10-9-22-16)15-4-6-17(26-2)7-5-15/h3-8,11,13,19,22-24H,9-10,12H2,1-2H3/b16-13-