5-(4-methoxyphenyl)-7-oxidanylidene-1,4-diazepane-6-carbonitrile

Systemtic Name: 5-(4-methoxyphenyl)-7-oxidanylidene-1,4-diazepane-6-carbonitrile Openeye Name: 5-(4-methoxyphenyl)-7-oxo-1,4-diazepane-6-carbonitrile CAS Name: 5-(4-methoxyphenyl)-7-oxo-1,4-diazepane-6-carbonitrile IUPAC Name: 5-(4-methoxyphenyl)-7-oxo-1,4-diazepane-6-carbonitrile Traditional Name: 5-keto-7-(4-methoxyphenyl)-1,4-diazepane-6-carbonitrile Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NCCN2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NCCN2)C#N

InChI

InChI=1S/C13H15N3O2/c1-18-10-4-2-9(3-5-10)12-11(8-14)13(17)16-7-6-15-12/h2-5,11-12,15H,6-7H2,1H3,(H,16,17)