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

Systemtic Name: 2-[[4-[3-(3-cyanophenoxy)propyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[3-(3-cyanophenoxy)propyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[3-(3-cyanophenoxy)propyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-[3-(3-cyanophenoxy)propyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[3-(3-cyanophenoxy)propyl]-7-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)CCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)CCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H24N4O2/c24-16-19-5-3-8-22(15-19)29-14-4-10-26-11-9-23(28)27(13-12-26)18-21-7-2-1-6-20(21)17-25/h1-3,5-8,15H,4,9-14,18H2