1-tert-butyl-3-[2-[3-ethyl-3-(3-methoxyphenyl)-2-oxidanylidene-azepan-1-yl]ethyl]urea

Systemtic Name: 1-tert-butyl-3-[2-[3-ethyl-3-(3-methoxyphenyl)-2-oxidanylidene-azepan-1-yl]ethyl]urea Openeye Name: 1-tert-butyl-3-[2-[3-ethyl-3-(3-methoxyphenyl)-2-oxo-azepan-1-yl]ethyl]urea CAS Name: 1-tert-butyl-3-[2-[3-ethyl-3-(3-methoxyphenyl)-2-oxo-1-azepanyl]ethyl]urea IUPAC Name: 1-tert-butyl-3-[2-[3-ethyl-3-(3-methoxyphenyl)-2-oxoazepan-1-yl]ethyl]urea Traditional Name: 1-tert-butyl-3-[2-[3-ethyl-2-keto-3-(3-methoxyphenyl)azepan-1-yl]ethyl]urea Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)CCNC(=O)NC(C)(C)C)C2=CC(=CC=C2)OC

Isomeric SMILES

CCC1(CCCCN(C1=O)CCNC(=O)NC(C)(C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C22H35N3O3/c1-6-22(17-10-9-11-18(16-17)28-5)12-7-8-14-25(19(22)26)15-13-23-20(27)24-21(2,3)4/h9-11,16H,6-8,12-15H2,1-5H3,(H2,23,24,27)