4-[[4-[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H26N4O4/c26-14-18-2-4-19(5-3-18)15-27-8-1-9-28(11-10-27)25(31)20-12-24(30)29(16-20)21-6-7-22-23(13-21)33-17-32-22/h2-7,13,20H,1,8-12,15-17H2