1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea

Systemtic Name: 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea Openeye Name: 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea CAS Name: 1-[(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-3-[3-(2-oxo-1-azepanyl)propyl]urea IUPAC Name: 1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea Traditional Name: 1-[3-(2-ketoazepan-1-yl)propyl]-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H31N5O3/c1-26-16-13-23-21(26)20(17-8-10-18(30-2)11-9-17)25-22(29)24-12-6-15-27-14-5-3-4-7-19(27)28/h8-11,13,16,20H,3-7,12,14-15H2,1-2H3,(H2,24,25,29)