4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenecarbonitrile

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenecarbonitrile Openeye Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]benzonitrile CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzonitrile IUPAC Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]benzonitrile Traditional Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O/c23-17-20-9-7-19(8-10-20)11-12-22(26)25-14-4-13-24(15-16-25)18-21-5-2-1-3-6-21/h1-3,5-10H,4,11-16,18H2