3-tert-butyl-1-[2-(phenylmethylidene)heptyl]-1-(piperidin-4-ylmethyl)urea

Systemtic Name: 3-tert-butyl-1-[2-(phenylmethylidene)heptyl]-1-(piperidin-4-ylmethyl)urea Openeye Name: 1-(2-benzylideneheptyl)-3-tert-butyl-1-(4-piperidylmethyl)urea CAS Name: 3-tert-butyl-1-[2-(phenylmethylene)heptyl]-1-(4-piperidinylmethyl)urea IUPAC Name: 1-(2-benzylideneheptyl)-3-tert-butyl-1-(piperidin-4-ylmethyl)urea Traditional Name: 1-(2-amyl-3-phenyl-allyl)-3-tert-butyl-1-(4-piperidylmethyl)urea Formula: C25H41N3O MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CC2CCNCC2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCC(=CC1=CC=CC=C1)CN(CC2CCNCC2)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H41N3O/c1-5-6-8-13-23(18-21-11-9-7-10-12-21)20-28(24(29)27-25(2,3)4)19-22-14-16-26-17-15-22/h7,9-12,18,22,26H,5-6,8,13-17,19-20H2,1-4H3,(H,27,29)