4-[[4-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1H-indol-3-yl)-2-oxo-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(1H-indol-3-yl)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1H-indol-3-yl)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1H-indol-3-yl)-2-keto-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H24N4O MolecularWeight: 372.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)C2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(=O)C2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O/c24-14-18-6-8-19(9-7-18)16-26-10-3-11-27(13-12-26)17-23(28)21-15-25-22-5-2-1-4-20(21)22/h1-2,4-9,15,25H,3,10-13,16-17H2