1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-chloranyl-2-methyl-phenyl)urea

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-chloranyl-2-methyl-phenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3-chloro-2-methyl-phenyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(3-chloro-2-methylphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-chloro-2-methylphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(3-chloro-2-methyl-phenyl)urea Formula: C20H25ClN4O MolecularWeight: 372.8917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)NCC2=CC(=NC=C2)N3CCCCCC3

InChI

InChI=1S/C20H25ClN4O/c1-15-17(21)7-6-8-18(15)24-20(26)23-14-16-9-10-22-19(13-16)25-11-4-2-3-5-12-25/h6-10,13H,2-5,11-12,14H2,1H3,(H2,23,24,26)