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

Systemtic Name: 3-[[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(3-cyclopentyl-1-oxopropyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O/c22-16-19-7-3-8-20(15-19)17-23-11-4-12-24(14-13-23)21(25)10-9-18-5-1-2-6-18/h3,7-8,15,18H,1-2,4-6,9-14,17H2