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

Systemtic Name: 3-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C19H25N3O MolecularWeight: 311.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H25N3O/c20-14-16-5-3-6-17(13-16)15-21-9-4-10-22(12-11-21)19(23)18-7-1-2-8-18/h3,5-6,13,18H,1-2,4,7-12,15H2