2-[[4-[(3-methoxyphenyl)methyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(3-methoxyphenyl)methyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(3-methoxyphenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(3-methoxyphenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-[(3-methoxyphenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[(7-keto-4-m-anisyl-1,4-diazepan-1-yl)methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(=O)N(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(=O)N(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O2/c1-26-20-8-4-5-17(13-20)15-23-10-9-21(25)24(12-11-23)16-19-7-3-2-6-18(19)14-22/h2-8,13H,9-12,15-16H2,1H3