3-tert-butyl-1-(2-morpholin-4-ylethyl)-1-[(2E)-2-(phenylmethylidene)heptyl]urea

Systemtic Name: 3-tert-butyl-1-(2-morpholin-4-ylethyl)-1-[(2E)-2-(phenylmethylidene)heptyl]urea Openeye Name: 1-[(2E)-2-benzylideneheptyl]-3-tert-butyl-1-(2-morpholinoethyl)urea CAS Name: 3-tert-butyl-1-[2-(4-morpholinyl)ethyl]-1-[(2E)-2-(phenylmethylene)heptyl]urea IUPAC Name: 1-[(2E)-2-benzylideneheptyl]-3-tert-butyl-1-(2-morpholin-4-ylethyl)urea Traditional Name: 1-[(E)-2-amyl-3-phenyl-allyl]-3-tert-butyl-1-(2-morpholinoethyl)urea Formula: C25H41N3O2 MolecularWeight: 415.61194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CCN2CCOCC2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/CN(CCN2CCOCC2)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H41N3O2/c1-5-6-8-13-23(20-22-11-9-7-10-12-22)21-28(24(29)26-25(2,3)4)15-14-27-16-18-30-19-17-27/h7,9-12,20H,5-6,8,13-19,21H2,1-4H3,(H,26,29)/b23-20+