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

Systemtic Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-methylphenyl)urea Openeye Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(m-tolyl)urea CAS Name: 1-[[2-(1-azepanyl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3-(3-methylphenyl)urea Traditional Name: 1-[[2-(azepan-1-yl)-4-pyridyl]methyl]-3-(m-tolyl)urea Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-16-7-6-8-18(13-16)23-20(25)22-15-17-9-10-21-19(14-17)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3,(H2,22,23,25)