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

Systemtic Name: 3-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(tetrahydrofuran-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-oxolanylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(OC1)CN2CCCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H25N3O/c19-13-16-4-1-5-17(12-16)14-20-7-3-8-21(10-9-20)15-18-6-2-11-22-18/h1,4-5,12,18H,2-3,6-11,14-15H2