3-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(1-oxo-2-phenoxypropyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]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)C#N)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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