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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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