(2E)-1-(5-methoxy-2-oxidanyl-phenyl)-2-(7-phenyl-1,4-diazepan-5-ylidene)ethanone

Systemtic Name: (2E)-1-(5-methoxy-2-oxidanyl-phenyl)-2-(7-phenyl-1,4-diazepan-5-ylidene)ethanone Openeye Name: (2E)-1-(2-hydroxy-5-methoxy-phenyl)-2-(7-phenyl-1,4-diazepan-5-ylidene)ethanone CAS Name: (2E)-1-(2-hydroxy-5-methoxyphenyl)-2-(7-phenyl-1,4-diazepan-5-ylidene)ethanone IUPAC Name: (2E)-1-(2-hydroxy-5-methoxyphenyl)-2-(7-phenyl-1,4-diazepan-5-ylidene)ethanone Traditional Name: (2E)-1-(2-hydroxy-5-methoxy-phenyl)-2-(7-phenyl-1,4-diazepan-5-ylidene)ethanone Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C=C2CC(NCCN2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)/C=C/2\CC(NCCN2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-25-16-7-8-19(23)17(13-16)20(24)12-15-11-18(22-10-9-21-15)14-5-3-2-4-6-14/h2-8,12-13,18,21-23H,9-11H2,1H3/b15-12+