4-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethoxy]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)COC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)COC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c22-15-18-7-9-20(10-8-18)26-17-21(25)24-12-4-11-23(13-14-24)16-19-5-2-1-3-6-19/h1-3,5-10H,4,11-14,16-17H2