1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3,5-dimethylphenyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3,5-dimethylphenyl)urea Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3)C

InChI

InChI=1S/C21H28N4O/c1-16-11-17(2)13-19(12-16)24-21(26)23-15-18-7-8-22-20(14-18)25-9-5-3-4-6-10-25/h7-8,11-14H,3-6,9-10,15H2,1-2H3,(H2,23,24,26)