1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-butyl-urea

Systemtic Name: 1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-butyl-urea Openeye Name: 1-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-butyl-urea CAS Name: 1-[[6-(1-azepanyl)-3-pyridinyl]methyl]-3-butylurea IUPAC Name: 1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-butylurea Traditional Name: 1-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-butyl-urea Formula: C17H28N4O MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC1=CN=C(C=C1)N2CCCCCC2

Isomeric SMILES

CCCCNC(=O)NCC1=CN=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C17H28N4O/c1-2-3-10-18-17(22)20-14-15-8-9-16(19-13-15)21-11-6-4-5-7-12-21/h8-9,13H,2-7,10-12,14H2,1H3,(H2,18,20,22)