4-[1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-oxo-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-(4-benzyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O2/c1-18(27-21-10-8-19(16-23)9-11-21)22(26)25-13-5-12-24(14-15-25)17-20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-15,17H2,1H3