1-[5-[2-(azepan-1-yl)ethyl]-2-phenylmethoxy-phenyl]-3-methyl-urea

Systemtic Name: 1-[5-[2-(azepan-1-yl)ethyl]-2-phenylmethoxy-phenyl]-3-methyl-urea Openeye Name: 1-[5-[2-(azepan-1-yl)ethyl]-2-benzyloxy-phenyl]-3-methyl-urea CAS Name: 1-[5-[2-(1-azepanyl)ethyl]-2-phenylmethoxyphenyl]-3-methylurea IUPAC Name: 1-[5-[2-(azepan-1-yl)ethyl]-2-phenylmethoxyphenyl]-3-methylurea Traditional Name: 1-[5-[2-(azepan-1-yl)ethyl]-2-benzoxy-phenyl]-3-methyl-urea Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C=CC(=C1)CCN2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC1=C(C=CC(=C1)CCN2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-24-23(27)25-21-17-19(13-16-26-14-7-2-3-8-15-26)11-12-22(21)28-18-20-9-5-4-6-10-20/h4-6,9-12,17H,2-3,7-8,13-16,18H2,1H3,(H2,24,25,27)